N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine

C25H24N6S2 — CID 11328938

IUPACN-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc(CN2CCc3cc(Nc4ncnc5cc(C#C[C@H]6CCCN6)sc45)ccc32)cs1
InChIInChI=1S/C25H24N6S2/c1-16-29-20(14-32-16)13-31-10-8-17-11-19(5-7-23(17)31)30-25-24-22(27-15-28-25)12-21(33-24)6-4-18-3-2-9-26-18/h5,7,11-12,14-15,18,26H,2-3,8-10,13H2,1H3,(H,27,28,30)/t18-/m1/s1
InChIKeyUFUUZZRLAFATSY-GOSISDBHSA-N
MW472.64 g/mol
LogP4.87
Rot. Bonds4

About N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine

N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 11328938) has the molecular formula C25H24N6S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID11328938
Molecular FormulaC25H24N6S2
Molecular Weight472.64 g/mol
Exact Mass472.15
IUPAC NameN-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc(CN2CCc3cc(Nc4ncnc5cc(C#C[C@H]6CCCN6)sc45)ccc32)cs1
InChIInChI=1S/C25H24N6S2/c1-16-29-20(14-32-16)13-31-10-8-17-11-19(5-7-23(17)31)30-25-24-22(27-15-28-25)12-21(33-24)6-4-18-3-2-9-26-18/h5,7,11-12,14-15,18,26H,2-3,8-10,13H2,1H3,(H,27,28,30)/t18-/m1/s1
InChIKeyUFUUZZRLAFATSY-GOSISDBHSA-N
XLogP4.87
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(1-benzyl-2,3-dihydroindol-5-yl)-6-[2-[(2S)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
CID 11224757
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
CID 91158360
N-(2-benzyl-3H-benzimidazol-5-yl)-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
CID 11178453
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[2-[(2S)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
CID 90950583
6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]-N-(1-thiophen-2-ylsulfonylindol-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 11409542
N-(3-chloro-4-pyridin-2-yloxyphenyl)-6-[2-[(2S)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
CID 91155564
[5-[2-[4-[[1-(1,3-thiazol-4-ylmethyl)indol-5-yl]amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl] morpholine-4-carboxylate
CID 56680622
N-[(3R,5S)-5-[2-[4-[(1-benzylindazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl]ethanesulfonamide
CID 91240367
N-[(3R,5S)-5-[2-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl]propanamide
CID 91368334
2-methyl-4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,3-thiazole
CID 63100735
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine
CID 90728112
1-[(2R)-2-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-1-yl]ethanone
CID 44580916

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine (CID 11328938) is N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine is Cc1nc(CN2CCc3cc(Nc4ncnc5cc(C#C[C@H]6CCCN6)sc45)ccc32)cs1.
What is the InChIKey of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UFUUZZRLAFATSY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24N6S2/c1-16-29-20(14-32-16)13-31-10-8-17-11-19(5-7-23(17)31)30-25-24-22(27-15-28-25)12-21(33-24)6-4-18-3-2-9-26-18/h5,7,11-12,14-15,18,26H,2-3,8-10,13H2,1H3,(H,27,28,30)/t18-/m1/s1.
What are the key properties of N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine?
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 472.64 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydroindol-5-yl]-6-[2-[(2R)-pyrrolidin-2-yl]ethynyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11328938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).