4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine

C27H26FN7 — CID 157383138

IUPAC4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Cc3cnc4cccnc4c3)nc(N3C[C@H]4CCN[C@H]4C3)c1-2
InChIInChI=1S/C27H26FN7/c1-29-21-10-17(28)9-19-18(21)11-23-26(19)27(35-13-16-4-6-31-24(16)14-35)34-25(33-23)8-15-7-22-20(32-12-15)3-2-5-30-22/h2-3,5,7,9-10,12,16,24,29,31H,4,6,8,11,13-14H2,1H3/t16-,24+/m1/s1
InChIKeyJFIRVHOFCAXLEJ-GYCJOSAFSA-N
MW467.55 g/mol
LogP3.56
Rot. Bonds4

About 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine

4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 157383138) has the molecular formula C27H26FN7 and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID157383138
Molecular FormulaC27H26FN7
Molecular Weight467.55 g/mol
Exact Mass467.22
IUPAC Name4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Cc3cnc4cccnc4c3)nc(N3C[C@H]4CCN[C@H]4C3)c1-2
InChIInChI=1S/C27H26FN7/c1-29-21-10-17(28)9-19-18(21)11-23-26(19)27(35-13-16-4-6-31-24(16)14-35)34-25(33-23)8-15-7-22-20(32-12-15)3-2-5-30-22/h2-3,5,7,9-10,12,16,24,29,31H,4,6,8,11,13-14H2,1H3/t16-,24+/m1/s1
InChIKeyJFIRVHOFCAXLEJ-GYCJOSAFSA-N
XLogP3.56
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-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

4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-9H-indeno[2,1-d]pyrimidin-8-amine
CID 157101761
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-6-fluoro-8-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidine
CID 161028384
4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-indeno[2,1-d]pyrimidin-8-amine
CID 162019809
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158119386
3-[[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-1,5-naphthyridine
CID 89460808
4-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159051487
4-(3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-yloxy)-9H-pyrimido[4,5-b]indol-8-amine
CID 123957304
4-(6-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161381439
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-(1H-imidazo[4,5-b]pyridin-6-yloxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161128310
2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158376549
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158332232
4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-8-methyl-2-[(5-oxido-1,5-naphthyridin-5-ium-3-yl)sulfanyl]-9H-indeno[2,1-d]pyrimidine
CID 158847697

Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine (CID 157383138) is 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cc(F)cc2c1Cc1nc(Cc3cnc4cccnc4c3)nc(N3C[C@H]4CCN[C@H]4C3)c1-2.
What is the InChIKey of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is JFIRVHOFCAXLEJ-GYCJOSAFSA-N. The full InChI is InChI=1S/C27H26FN7/c1-29-21-10-17(28)9-19-18(21)11-23-26(19)27(35-13-16-4-6-31-24(16)14-35)34-25(33-23)8-15-7-22-20(32-12-15)3-2-5-30-22/h2-3,5,7,9-10,12,16,24,29,31H,4,6,8,11,13-14H2,1H3/t16-,24+/m1/s1.
What are the key properties of 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine?
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 467.55 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-fluoro-N-methyl-2-(1,5-naphthyridin-3-ylmethyl)-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 157383138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).