3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

C27H29N7O — CID 156781854

IUPAC3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1ccc(N2CCN(C3CC3)CC2)nc1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C27H29N7O/c1-17-7-8-28-15-22(17)23-13-21-24(16-29-23)32-27(35)26(21)18(2)31-19-3-6-25(30-14-19)34-11-9-33(10-12-34)20-4-5-20/h3,6-8,13-16,20,32,35H,4-5,9-12H2,1-2H3/b31-18+
InChIKeyKRWKMFDGZSBASJ-FDAWAROLSA-N
MW467.58 g/mol
LogP4.46
Rot. Bonds5

About 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 156781854) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID156781854
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1ccc(N2CCN(C3CC3)CC2)nc1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C27H29N7O/c1-17-7-8-28-15-22(17)23-13-21-24(16-29-23)32-27(35)26(21)18(2)31-19-3-6-25(30-14-19)34-11-9-33(10-12-34)20-4-5-20/h3,6-8,13-16,20,32,35H,4-5,9-12H2,1-2H3/b31-18+
InChIKeyKRWKMFDGZSBASJ-FDAWAROLSA-N
XLogP4.46
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[C-methyl-N-[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463012
1-[4-[4-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylideneamino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 156781862
3-[C-methyl-N-[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462731
3-[(E)-C-methyl-N-(5-methyl-1,3-thiazol-2-yl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781817
3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462774
3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 150823366
3-[N-[1-(3-hydroxy-3-methylbutyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781839
(Z)-3-(ethylamino)-N-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylidene]but-2-enimidamide
CID 166572000
3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol
CID 146463080
1-cyclopropyl-4-[5-(2-methyl-4-pyridinyl)-2-pyridinyl]piperazine;hydrochloride
CID 23652974
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111185
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034121

Frequently Asked Questions

What is the IUPAC name of 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 156781854) is 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1ccc(N2CCN(C3CC3)CC2)nc1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.
What is the InChIKey of 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is KRWKMFDGZSBASJ-FDAWAROLSA-N. The full InChI is InChI=1S/C27H29N7O/c1-17-7-8-28-15-22(17)23-13-21-24(16-29-23)32-27(35)26(21)18(2)31-19-3-6-25(30-14-19)34-11-9-33(10-12-34)20-4-5-20/h3,6-8,13-16,20,32,35H,4-5,9-12H2,1-2H3/b31-18+.
What are the key properties of 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 467.58 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 156781854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).