4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine

C17H18ClN5O — CID 121416447

IUPAC4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine
SMILESCc1cc(-n2ncc3cc(Cl)nc(CN4CCOCC4)c32)ccn1
InChIInChI=1S/C17H18ClN5O/c1-12-8-14(2-3-19-12)23-17-13(10-20-23)9-16(18)21-15(17)11-22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3
InChIKeyWTRSBZXJCFCQFU-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.61
Rot. Bonds3

About 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine

4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine (PubChem CID 121416447) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine
PubChem CID121416447
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine
SMILESCc1cc(-n2ncc3cc(Cl)nc(CN4CCOCC4)c32)ccn1
InChIInChI=1S/C17H18ClN5O/c1-12-8-14(2-3-19-12)23-17-13(10-20-23)9-16(18)21-15(17)11-22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3
InChIKeyWTRSBZXJCFCQFU-UHFFFAOYSA-N
XLogP2.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine?
The IUPAC name of 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine (CID 121416447) is 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine is Cc1cc(-n2ncc3cc(Cl)nc(CN4CCOCC4)c32)ccn1.
What is the InChIKey of 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine?
The InChIKey is WTRSBZXJCFCQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-12-8-14(2-3-19-12)23-17-13(10-20-23)9-16(18)21-15(17)11-22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3.
What are the key properties of 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine?
4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine has a molecular weight of 343.82 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-7-yl]methyl]morpholine is sourced from PubChem (CID 121416447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).