[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone

C30H34N8O2 — CID 164757836

IUPAC[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(c(C)n2)c(C)c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)n3C)c(C)n1
InChIInChI=1S/C30H34N8O2/c1-16-14-37(15-17(2)33-16)30(39)29-18(3)28-20(5)35-27(11-25(28)36(29)6)38-24-10-23(34-19(4)21(24)13-32-38)22-12-31-9-8-26(22)40-7/h8-13,16-17,33H,14-15H2,1-7H3/t16-,17+
InChIKeyLYGWNEXMDHWDBE-CALCHBBNSA-N
MW538.66 g/mol
LogP4.13
Rot. Bonds4

About [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone

[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone (PubChem CID 164757836) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone
PubChem CID164757836
Molecular FormulaC30H34N8O2
Molecular Weight538.66 g/mol
Exact Mass538.28
IUPAC Name[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(c(C)n2)c(C)c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)n3C)c(C)n1
InChIInChI=1S/C30H34N8O2/c1-16-14-37(15-17(2)33-16)30(39)29-18(3)28-20(5)35-27(11-25(28)36(29)6)38-24-10-23(34-19(4)21(24)13-32-38)22-12-31-9-8-26(22)40-7/h8-13,16-17,33H,14-15H2,1-7H3/t16-,17+
InChIKeyLYGWNEXMDHWDBE-CALCHBBNSA-N
XLogP4.13
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.66
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone 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-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone
CID 163273606
[4-cyclopropyl-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 163273406
azetidin-1-yl-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridin-2-yl]methanone
CID 163273719
6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-morpholin-4-ylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 163273791
4-[4-[1-[4-cyclopropyl-1,3-dimethyl-2-(4-methylpiperazine-1-carbonyl)pyrrolo[3,2-c]pyridin-6-yl]-6-(4-methoxy-3-pyridinyl)pyrazolo[4,3-c]pyridin-4-yl]butyl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 163273647
2-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]propan-2-ol
CID 163273364
[3-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-6,8-dimethyl-1-propylpyrrolo[1,2-a]pyrazin-7-yl]-piperazin-1-ylmethanone
CID 163273651
4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,2-dimethylimidazo[4,5-c]pyridin-4-yl]-2,2-dimethylmorpholine
CID 163273793
4-[2-(5,5-difluoro-1-methylpiperidin-3-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]morpholine
CID 163273464
4-(1-cyclopropylethoxy)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-2H-imidazo[4,5-c]pyridin-2-ol
CID 167054264
4-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl]-2,2-dimethylmorpholine
CID 163273570
(1R,4R)-5-[2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514241

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone?
The IUPAC name of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone (CID 164757836) is [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone.
What is the SMILES notation for [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone?
The canonical SMILES for [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone is COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(C)n2)c(C)c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)n3C)c(C)n1.
What is the InChIKey of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone?
The InChIKey is LYGWNEXMDHWDBE-CALCHBBNSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-16-14-37(15-17(2)33-16)30(39)29-18(3)28-20(5)35-27(11-25(28)36(29)6)38-24-10-23(34-19(4)21(24)13-32-38)22-12-31-9-8-26(22)40-7/h8-13,16-17,33H,14-15H2,1-7H3/t16-,17+.
What are the key properties of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone?
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone has a molecular weight of 538.66 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3,5-dimethylpiperazin-1-yl]-[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3,4-trimethylpyrrolo[3,2-c]pyridin-2-yl]methanone is sourced from PubChem (CID 164757836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).