6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine

C23H21N7O — CID 162665958

IUPAC6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3ccc4cn[nH]c4c3)cc2[nH]1
InChIInChI=1S/C23H21N7O/c1-2-16-13-26-29-20(16)11-15(1)19-12-21-22(25-14-24-21)23(28-19)27-17-3-5-18(6-4-17)30-7-9-31-10-8-30/h1-6,11-14H,7-10H2,(H,24,25)(H,26,29)(H,27,28)
InChIKeyYVLVNISRWNMKAN-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.08
Rot. Bonds4

About 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine

6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 162665958) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID162665958
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3ccc4cn[nH]c4c3)cc2[nH]1
InChIInChI=1S/C23H21N7O/c1-2-16-13-26-29-20(16)11-15(1)19-12-21-22(25-14-24-21)23(28-19)27-17-3-5-18(6-4-17)30-7-9-31-10-8-30/h1-6,11-14H,7-10H2,(H,24,25)(H,26,29)(H,27,28)
InChIKeyYVLVNISRWNMKAN-UHFFFAOYSA-N
XLogP4.08
TPSA94.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 162665958) is 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine is c1nc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3ccc4cn[nH]c4c3)cc2[nH]1.
What is the InChIKey of 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is YVLVNISRWNMKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-2-16-13-26-29-20(16)11-15(1)19-12-21-22(25-14-24-21)23(28-19)27-17-3-5-18(6-4-17)30-7-9-31-10-8-30/h1-6,11-14H,7-10H2,(H,24,25)(H,26,29)(H,27,28).
What are the key properties of 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 411.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 162665958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).