4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

C20H22ClN5O3 — CID 54673231

IUPAC4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESClc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C20H22ClN5O3/c21-16-12-15-18(20(23-16)29-14-2-7-27-8-3-14)19(25-24-15)13-1-4-22-17(11-13)26-5-9-28-10-6-26/h1,4,11-12,14H,2-3,5-10H2,(H,24,25)
InChIKeyLUBHCPRJAHZHGB-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.07
Rot. Bonds4

About 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 54673231) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID54673231
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESClc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C20H22ClN5O3/c21-16-12-15-18(20(23-16)29-14-2-7-27-8-3-14)19(25-24-15)13-1-4-22-17(11-13)26-5-9-28-10-6-26/h1,4,11-12,14H,2-3,5-10H2,(H,24,25)
InChIKeyLUBHCPRJAHZHGB-UHFFFAOYSA-N
XLogP3.07
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 54673231) is 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is Clc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1.
What is the InChIKey of 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is LUBHCPRJAHZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c21-16-12-15-18(20(23-16)29-14-2-7-27-8-3-14)19(25-24-15)13-1-4-22-17(11-13)26-5-9-28-10-6-26/h1,4,11-12,14H,2-3,5-10H2,(H,24,25).
What are the key properties of 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 415.88 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-chloro-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 54673231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).