4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine

C24H23FN8O — CID 118346564

IUPAC4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3ccc4ccnn4c3)nc(N3CC4CCN[C@H]4C3)c12
InChIInChI=1S/C24H23FN8O/c1-26-18-9-14(25)8-17-20-22(29-21(17)18)30-24(34-16-3-2-15-5-7-28-33(15)11-16)31-23(20)32-10-13-4-6-27-19(13)12-32/h2-3,5,7-9,11,13,19,26-27H,4,6,10,12H2,1H3,(H,29,30,31)/t13?,19-/m0/s1
InChIKeyAYCBGIIXXZTCES-YFKXAPIDSA-N
MW458.50 g/mol
LogP3.53
Rot. Bonds4

About 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine

4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 118346564) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound Name4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID118346564
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3ccc4ccnn4c3)nc(N3CC4CCN[C@H]4C3)c12
InChIInChI=1S/C24H23FN8O/c1-26-18-9-14(25)8-17-20-22(29-21(17)18)30-24(34-16-3-2-15-5-7-28-33(15)11-16)31-23(20)32-10-13-4-6-27-19(13)12-32/h2-3,5,7-9,11,13,19,26-27H,4,6,10,12H2,1H3,(H,29,30,31)/t13?,19-/m0/s1
InChIKeyAYCBGIIXXZTCES-YFKXAPIDSA-N
XLogP3.53
TPSA95.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-Fluoro-4-[(3ar,6ar)-Hexahydropyrrolo[3,4-B]pyrrol-5(1h)-Yl]-N-Methyl-2-[(2-Methylpyrimidin-5-Yl)oxy]-9h-Pyrimido[4,5-B]indol-8-Amine
CID 66560858
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 54767085
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-8-amine
CID 77142388
US10071079, Example 134
CID 132272038
US10071079, Example 160
CID 132272057
5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455406
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
US10544143, Example 347
CID 138686642
US10544143, Example 345
CID 138686780
US10544143, Example 343
CID 138686800
US10544143, Example 341
CID 138686914
US10544143, Example 524
CID 138687072

Frequently Asked Questions

What is the IUPAC name of 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
The IUPAC name of 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine (CID 118346564) is 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine.
What is the SMILES notation for 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
The canonical SMILES for 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(F)cc2c1[nH]c1nc(Oc3ccc4ccnn4c3)nc(N3CC4CCN[C@H]4C3)c12.
What is the InChIKey of 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is AYCBGIIXXZTCES-YFKXAPIDSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-26-18-9-14(25)8-17-20-22(29-21(17)18)30-24(34-16-3-2-15-5-7-28-33(15)11-16)31-23(20)32-10-13-4-6-27-19(13)12-32/h2-3,5,7-9,11,13,19,26-27H,4,6,10,12H2,1H3,(H,29,30,31)/t13?,19-/m0/s1.
What are the key properties of 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine?
4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 458.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-pyrazolo[1,5-a]pyridin-6-yloxy-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 118346564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).