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

C24H24N6O2 — CID 146462838

IUPAC3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1ccc(N2CCOCC2)cn1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C24H24N6O2/c1-15-5-6-25-13-19(15)20-11-18-21(14-26-20)29-24(31)23(18)16(2)28-22-4-3-17(12-27-22)30-7-9-32-10-8-30/h3-6,11-14,29,31H,7-10H2,1-2H3/b28-16+
InChIKeySVOXIKUNNXOQFQ-LQKURTRISA-N
MW428.50 g/mol
LogP4.01
Rot. Bonds4

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

3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 146462838) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID146462838
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1ccc(N2CCOCC2)cn1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12
InChIInChI=1S/C24H24N6O2/c1-15-5-6-25-13-19(15)20-11-18-21(14-26-20)29-24(31)23(18)16(2)28-22-4-3-17(12-27-22)30-7-9-32-10-8-30/h3-6,11-14,29,31H,7-10H2,1-2H3/b28-16+
InChIKeySVOXIKUNNXOQFQ-LQKURTRISA-N
XLogP4.01
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 146462838) is 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1ccc(N2CCOCC2)cn1)c1c(O)[nH]c2cnc(-c3cnccc3C)cc12.
What is the InChIKey of 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is SVOXIKUNNXOQFQ-LQKURTRISA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-5-6-25-13-19(15)20-11-18-21(14-26-20)29-24(31)23(18)16(2)28-22-4-3-17(12-27-22)30-7-9-32-10-8-30/h3-6,11-14,29,31H,7-10H2,1-2H3/b28-16+.
What are the key properties of 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 428.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-methyl-N-(5-morpholin-4-yl-2-pyridinyl)carbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 146462838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).