2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine

C22H22ClN7 — CID 177177193

IUPAC2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine
SMILESCc1nc(CN2CCC(c3cc(-c4cnccc4Cl)n[nH]3)CC2)nc2ncccc12
InChIInChI=1S/C22H22ClN7/c1-14-16-3-2-7-25-22(16)27-21(26-14)13-30-9-5-15(6-10-30)19-11-20(29-28-19)17-12-24-8-4-18(17)23/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,28,29)
InChIKeyKWZPYZMHWNSFQC-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.15
Rot. Bonds4

About 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine

2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine (PubChem CID 177177193) has the molecular formula C22H22ClN7 and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine
PubChem CID177177193
Molecular FormulaC22H22ClN7
Molecular Weight419.92 g/mol
Exact Mass419.16
IUPAC Name2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine
SMILESCc1nc(CN2CCC(c3cc(-c4cnccc4Cl)n[nH]3)CC2)nc2ncccc12
InChIInChI=1S/C22H22ClN7/c1-14-16-3-2-7-25-22(16)27-21(26-14)13-30-9-5-15(6-10-30)19-11-20(29-28-19)17-12-24-8-4-18(17)23/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,28,29)
InChIKeyKWZPYZMHWNSFQC-UHFFFAOYSA-N
XLogP4.15
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine (CID 177177193) is 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine is Cc1nc(CN2CCC(c3cc(-c4cnccc4Cl)n[nH]3)CC2)nc2ncccc12.
What is the InChIKey of 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine?
The InChIKey is KWZPYZMHWNSFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7/c1-14-16-3-2-7-25-22(16)27-21(26-14)13-30-9-5-15(6-10-30)19-11-20(29-28-19)17-12-24-8-4-18(17)23/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,28,29).
What are the key properties of 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine?
2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine has a molecular weight of 419.92 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 177177193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).