2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine

C18H22N6 — CID 72919850

IUPAC2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(CCn3cccn3)CC2)c2cccnc2n1
InChIInChI=1S/C18H22N6/c1-14-21-17-16(4-2-8-19-17)18(22-14)23-11-5-15(6-12-23)7-13-24-10-3-9-20-24/h2-4,8-10,15H,5-7,11-13H2,1H3
InChIKeyAYZNYDHNZWRQJS-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine

2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 72919850) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID72919850
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1nc(N2CCC(CCn3cccn3)CC2)c2cccnc2n1
InChIInChI=1S/C18H22N6/c1-14-21-17-16(4-2-8-19-17)18(22-14)23-11-5-15(6-12-23)7-13-24-10-3-9-20-24/h2-4,8-10,15H,5-7,11-13H2,1H3
InChIKeyAYZNYDHNZWRQJS-UHFFFAOYSA-N
XLogP2.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine (CID 72919850) is 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine is Cc1nc(N2CCC(CCn3cccn3)CC2)c2cccnc2n1.
What is the InChIKey of 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is AYZNYDHNZWRQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-14-21-17-16(4-2-8-19-17)18(22-14)23-11-5-15(6-12-23)7-13-24-10-3-9-20-24/h2-4,8-10,15H,5-7,11-13H2,1H3.
What are the key properties of 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 322.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 72919850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).