(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H27N7O — CID 53168181

IUPAC(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2c(N3CCCC3)nc(C(=O)N3CCN(c4ccccn4)CC3)nc2n1
InChIInChI=1S/C23H27N7O/c1-16-15-17(2)25-20-19(16)22(29-9-5-6-10-29)27-21(26-20)23(31)30-13-11-28(12-14-30)18-7-3-4-8-24-18/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyUOJVGGPCKNWZMW-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.60
Rot. Bonds3

About (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 53168181) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID53168181
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2c(N3CCCC3)nc(C(=O)N3CCN(c4ccccn4)CC3)nc2n1
InChIInChI=1S/C23H27N7O/c1-16-15-17(2)25-20-19(16)22(29-9-5-6-10-29)27-21(26-20)23(31)30-13-11-28(12-14-30)18-7-3-4-8-24-18/h3-4,7-8,15H,5-6,9-14H2,1-2H3
InChIKeyUOJVGGPCKNWZMW-UHFFFAOYSA-N
XLogP2.60
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
CID 53168237
5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53201126
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71837921
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146153943
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 53168181) is (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(C)c2c(N3CCCC3)nc(C(=O)N3CCN(c4ccccn4)CC3)nc2n1.
What is the InChIKey of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UOJVGGPCKNWZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16-15-17(2)25-20-19(16)22(29-9-5-6-10-29)27-21(26-20)23(31)30-13-11-28(12-14-30)18-7-3-4-8-24-18/h3-4,7-8,15H,5-6,9-14H2,1-2H3.
What are the key properties of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 417.52 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53168181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).