4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine

C22H19N7O — CID 136643035

IUPAC4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
SMILESc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C22H19N7O/c1-2-15(11-23-5-1)14-3-4-17-16(10-14)20(28-27-17)22-25-18-12-24-13-19(21(18)26-22)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H,25,26)(H,27,28)
InChIKeyUFTJBHAIKDDJQD-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.40
Rot. Bonds3

About 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine

4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine (PubChem CID 136643035) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
PubChem CID136643035
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine
SMILESc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C22H19N7O/c1-2-15(11-23-5-1)14-3-4-17-16(10-14)20(28-27-17)22-25-18-12-24-13-19(21(18)26-22)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H,25,26)(H,27,28)
InChIKeyUFTJBHAIKDDJQD-UHFFFAOYSA-N
XLogP3.40
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
The IUPAC name of 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine (CID 136643035) is 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine is c1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
The InChIKey is UFTJBHAIKDDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-2-15(11-23-5-1)14-3-4-17-16(10-14)20(28-27-17)22-25-18-12-24-13-19(21(18)26-22)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H,25,26)(H,27,28).
What are the key properties of 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine?
4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine has a molecular weight of 397.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholine is sourced from PubChem (CID 136643035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).