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

C19H17N9O — CID 136944727

IUPAC4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESc1cc2[nH]c(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)nc2c(N2CCOCC2)n1
InChIInChI=1S/C19H17N9O/c1-2-20-19(28-3-5-29-6-4-28)17-13(1)24-18(25-17)16-12-7-14(11-8-22-23-9-11)21-10-15(12)26-27-16/h1-2,7-10H,3-6H2,(H,22,23)(H,24,25)(H,26,27)
InChIKeyQGJZBRFDFQIIKP-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.12
Rot. Bonds3

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

4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 136944727) has the molecular formula C19H17N9O and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
PubChem CID136944727
Molecular FormulaC19H17N9O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESc1cc2[nH]c(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)nc2c(N2CCOCC2)n1
InChIInChI=1S/C19H17N9O/c1-2-20-19(28-3-5-29-6-4-28)17-13(1)24-18(25-17)16-12-7-14(11-8-22-23-9-11)21-10-15(12)26-27-16/h1-2,7-10H,3-6H2,(H,22,23)(H,24,25)(H,26,27)
InChIKeyQGJZBRFDFQIIKP-UHFFFAOYSA-N
XLogP2.12
TPSA124.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine (CID 136944727) is 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine is c1cc2[nH]c(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)nc2c(N2CCOCC2)n1.
What is the InChIKey of 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is QGJZBRFDFQIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9O/c1-2-20-19(28-3-5-29-6-4-28)17-13(1)24-18(25-17)16-12-7-14(11-8-22-23-9-11)21-10-15(12)26-27-16/h1-2,7-10H,3-6H2,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 387.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 136944727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).