7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C137H127Cl2F10N23 — CID 159907411

IUPAC7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2cc(Cl)ccc12.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2cc(Cl)ccc12
InChIInChI=1S/3C29H27F2N5.2C25H23ClF2N4/c3*1-16-17-7-9-18(10-8-17)25(16)33-27-21-11-12-36(20-5-3-2-4-6-20)29(21)35-28(34-27)23-15-32-26-22(23)13-19(30)14-24(26)31;2*1-12-13-2-4-14(5-3-13)22(12)31-24-17-7-6-15(26)8-21(17)30-25(32-24)19-11-29-23-18(19)9-16(27)10-20(23)28/h3*2-6,11-18,25,32H,7-10H2,1H3,(H,33,34,35);2*6-14,22,29H,2-5H2,1H3,(H,30,31,32)/t2*16-,17?,18?,25+;;12-,13?,14?,22+;/m11.1./s1
InChIKeyNWTFLSBJZZTLEI-TWZVEQLKSA-N
MW2356.57 g/mol
LogP35.14
Rot. Bonds18

About 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 159907411) has the molecular formula C137H127Cl2F10N23 and a molecular weight of 2356.57 g/mol. Its IUPAC name is 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID159907411
Molecular FormulaC137H127Cl2F10N23
Molecular Weight2356.57 g/mol
Exact Mass2353.99
IUPAC Name7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2cc(Cl)ccc12.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2cc(Cl)ccc12
InChIInChI=1S/3C29H27F2N5.2C25H23ClF2N4/c3*1-16-17-7-9-18(10-8-17)25(16)33-27-21-11-12-36(20-5-3-2-4-6-20)29(21)35-28(34-27)23-15-32-26-22(23)13-19(30)14-24(26)31;2*1-12-13-2-4-14(5-3-13)22(12)31-24-17-7-6-15(26)8-21(17)30-25(32-24)19-11-29-23-18(19)9-16(27)10-20(23)28/h3*2-6,11-18,25,32H,7-10H2,1H3,(H,33,34,35);2*6-14,22,29H,2-5H2,1H3,(H,30,31,32)/t2*16-,17?,18?,25+;;12-,13?,14?,22+;/m11.1./s1
InChIKeyNWTFLSBJZZTLEI-TWZVEQLKSA-N
XLogP35.14
TPSA282.79 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002356.57
LogP ≤ 535.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 159907411) is 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2cc(Cl)ccc12.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2-c1ccccc1.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NWTFLSBJZZTLEI-TWZVEQLKSA-N. The full InChI is InChI=1S/3C29H27F2N5.2C25H23ClF2N4/c3*1-16-17-7-9-18(10-8-17)25(16)33-27-21-11-12-36(20-5-3-2-4-6-20)29(21)35-28(34-27)23-15-32-26-22(23)13-19(30)14-24(26)31;2*1-12-13-2-4-14(5-3-13)22(12)31-24-17-7-6-15(26)8-21(17)30-25(32-24)19-11-29-23-18(19)9-16(27)10-20(23)28/h3*2-6,11-18,25,32H,7-10H2,1H3,(H,33,34,35);2*6-14,22,29H,2-5H2,1H3,(H,30,31,32)/t2*16-,17?,18?,25+;;12-,13?,14?,22+;/m11.1./s1.
What are the key properties of 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2356.57 g/mol, XLogP of 35.14, 18 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;7-chloro-2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;bis(2-(5,7-difluoro-1H-indol-3-yl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine);2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159907411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).