3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone

C26H29N5O — CID 159312974

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone
SMILESCC(C)c1c(-c2ccnc3c2cnn3C)[nH]c2ccc(C(=O)N3CC4CCCC4C3)cc12
InChIInChI=1S/C26H29N5O/c1-15(2)23-20-11-16(26(32)31-13-17-5-4-6-18(17)14-31)7-8-22(20)29-24(23)19-9-10-27-25-21(19)12-28-30(25)3/h7-12,15,17-18,29H,4-6,13-14H2,1-3H3
InChIKeyLCTZOAWGYVQCPJ-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.11
Rot. Bonds3

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone (PubChem CID 159312974) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone
PubChem CID159312974
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone
SMILESCC(C)c1c(-c2ccnc3c2cnn3C)[nH]c2ccc(C(=O)N3CC4CCCC4C3)cc12
InChIInChI=1S/C26H29N5O/c1-15(2)23-20-11-16(26(32)31-13-17-5-4-6-18(17)14-31)7-8-22(20)29-24(23)19-9-10-27-25-21(19)12-28-30(25)3/h7-12,15,17-18,29H,4-6,13-14H2,1-3H3
InChIKeyLCTZOAWGYVQCPJ-UHFFFAOYSA-N
XLogP5.11
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone with MolForge

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone
CID 158751762
[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-[2-(1-methylpiperidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155210909
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
CID 139458547
4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine
CID 154639326
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one
CID 164521060
[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone
CID 150088835
3-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[4,5-b]pyridine
CID 142593803
[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-pyrrolidin-2-ylmethanone
CID 175343898
2-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142593912
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
CID 155142382

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone (CID 159312974) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone is CC(C)c1c(-c2ccnc3c2cnn3C)[nH]c2ccc(C(=O)N3CC4CCCC4C3)cc12.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone?
The InChIKey is LCTZOAWGYVQCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-15(2)23-20-11-16(26(32)31-13-17-5-4-6-18(17)14-31)7-8-22(20)29-24(23)19-9-10-27-25-21(19)12-28-30(25)3/h7-12,15,17-18,29H,4-6,13-14H2,1-3H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone has a molecular weight of 427.55 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]methanone is sourced from PubChem (CID 159312974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).