6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline

C43H42FN9O3 — CID 164875470

IUPAC6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline
SMILESCc1c(F)cc2[nH]ncc2c1-c1c(C2CC2)cc2c(N3C[C@@H]4C[C@H]3CN4)nc(OC3CCOCC3)nc2c1OCc1ccc(Cc2cn3ccncc3n2)cc1
InChIInChI=1S/C43H42FN9O3/c1-24-35(44)17-36-34(19-47-51-36)38(24)39-32(27-6-7-27)16-33-40(49-43(56-31-8-12-54-13-9-31)50-42(33)53-22-28-15-30(53)18-46-28)41(39)55-23-26-4-2-25(3-5-26)14-29-21-52-11-10-45-20-37(52)48-29/h2-5,10-11,16-17,19-21,27-28,30-31,46H,6-9,12-15,18,22-23H2,1H3,(H,47,51)/t28-,30-/m0/s1
InChIKeyVBZDKLTZGOMSHZ-JDXGNMNLSA-N
MW751.87 g/mol
LogP6.82
Rot. Bonds10

About 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline

6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline (PubChem CID 164875470) has the molecular formula C43H42FN9O3 and a molecular weight of 751.87 g/mol. Its IUPAC name is 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline.

Molecular Properties

Compound Name6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline
PubChem CID164875470
Molecular FormulaC43H42FN9O3
Molecular Weight751.87 g/mol
Exact Mass751.34
IUPAC Name6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline
SMILESCc1c(F)cc2[nH]ncc2c1-c1c(C2CC2)cc2c(N3C[C@@H]4C[C@H]3CN4)nc(OC3CCOCC3)nc2c1OCc1ccc(Cc2cn3ccncc3n2)cc1
InChIInChI=1S/C43H42FN9O3/c1-24-35(44)17-36-34(19-47-51-36)38(24)39-32(27-6-7-27)16-33-40(49-43(56-31-8-12-54-13-9-31)50-42(33)53-22-28-15-30(53)18-46-28)41(39)55-23-26-4-2-25(3-5-26)14-29-21-52-11-10-45-20-37(52)48-29/h2-5,10-11,16-17,19-21,27-28,30-31,46H,6-9,12-15,18,22-23H2,1H3,(H,47,51)/t28-,30-/m0/s1
InChIKeyVBZDKLTZGOMSHZ-JDXGNMNLSA-N
XLogP6.82
TPSA127.61 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500751.87
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline 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 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline?
The IUPAC name of 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline (CID 164875470) is 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline.
What is the SMILES notation for 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline?
The canonical SMILES for 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline is Cc1c(F)cc2[nH]ncc2c1-c1c(C2CC2)cc2c(N3C[C@@H]4C[C@H]3CN4)nc(OC3CCOCC3)nc2c1OCc1ccc(Cc2cn3ccncc3n2)cc1.
What is the InChIKey of 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline?
The InChIKey is VBZDKLTZGOMSHZ-JDXGNMNLSA-N. The full InChI is InChI=1S/C43H42FN9O3/c1-24-35(44)17-36-34(19-47-51-36)38(24)39-32(27-6-7-27)16-33-40(49-43(56-31-8-12-54-13-9-31)50-42(33)53-22-28-15-30(53)18-46-28)41(39)55-23-26-4-2-25(3-5-26)14-29-21-52-11-10-45-20-37(52)48-29/h2-5,10-11,16-17,19-21,27-28,30-31,46H,6-9,12-15,18,22-23H2,1H3,(H,47,51)/t28-,30-/m0/s1.
What are the key properties of 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline?
6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline has a molecular weight of 751.87 g/mol, XLogP of 6.82, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-8-[[4-(imidazo[1,2-a]pyrazin-2-ylmethyl)phenyl]methoxy]-2-(oxan-4-yloxy)quinazoline is sourced from PubChem (CID 164875470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).