8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C23H23ClN6O — CID 137175179

IUPAC8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccccc5Cl)CC4)cn3)nccc12
InChIInChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31)
InChIKeyQDNXWZJEOBANTA-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.58
Rot. Bonds5

About 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137175179) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137175179
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccccc5Cl)CC4)cn3)nccc12
InChIInChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31)
InChIKeyQDNXWZJEOBANTA-UHFFFAOYSA-N
XLogP3.58
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137175179) is 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccccc5Cl)CC4)cn3)nccc12.
What is the InChIKey of 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QDNXWZJEOBANTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c24-20-4-2-1-3-18(20)17-7-11-29(12-8-17)10-6-16-13-28-30(14-16)22-21-19(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,17H,6-8,10-12H2,(H,26,27,31).
What are the key properties of 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 434.93 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-[4-(2-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137175179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).