cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone

C24H26N6O2 — CID 172626348

IUPACcyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone
SMILESCc1cncc(-c2nccc(Nc3cc(N4CCC[C@H](O)C4)c(C(=O)C4CC4)cn3)n2)c1
InChIInChI=1S/C24H26N6O2/c1-15-9-17(12-25-11-15)24-26-7-6-21(29-24)28-22-10-20(30-8-2-3-18(31)14-30)19(13-27-22)23(32)16-4-5-16/h6-7,9-13,16,18,31H,2-5,8,14H2,1H3,(H,26,27,28,29)/t18-/m0/s1
InChIKeyIMNFVXVWONINQC-SFHVURJKSA-N
MW430.51 g/mol
LogP3.54
Rot. Bonds6

About cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone

cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone (PubChem CID 172626348) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone
PubChem CID172626348
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Namecyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone
SMILESCc1cncc(-c2nccc(Nc3cc(N4CCC[C@H](O)C4)c(C(=O)C4CC4)cn3)n2)c1
InChIInChI=1S/C24H26N6O2/c1-15-9-17(12-25-11-15)24-26-7-6-21(29-24)28-22-10-20(30-8-2-3-18(31)14-30)19(13-27-22)23(32)16-4-5-16/h6-7,9-13,16,18,31H,2-5,8,14H2,1H3,(H,26,27,28,29)/t18-/m0/s1
InChIKeyIMNFVXVWONINQC-SFHVURJKSA-N
XLogP3.54
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone (CID 172626348) is cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone is Cc1cncc(-c2nccc(Nc3cc(N4CCC[C@H](O)C4)c(C(=O)C4CC4)cn3)n2)c1.
What is the InChIKey of cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone?
The InChIKey is IMNFVXVWONINQC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-9-17(12-25-11-15)24-26-7-6-21(29-24)28-22-10-20(30-8-2-3-18(31)14-30)19(13-27-22)23(32)16-4-5-16/h6-7,9-13,16,18,31H,2-5,8,14H2,1H3,(H,26,27,28,29)/t18-/m0/s1.
What are the key properties of cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone?
cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone has a molecular weight of 430.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3S)-3-hydroxypiperidin-1-yl]-6-[[2-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 172626348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).