[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

C23H28N8O — CID 124962428

IUPAC[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3-c3ccnc(N)c3)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H28N8O/c1-15-11-19(28-23(27-15)30-8-3-2-4-9-30)22(32)31-10-6-17(14-31)21-18(13-26-29-21)16-5-7-25-20(24)12-16/h5,7,11-13,17H,2-4,6,8-10,14H2,1H3,(H2,24,25)(H,26,29)/t17-/m1/s1
InChIKeyHIXJCJUCHYJPOL-QGZVFWFLSA-N
MW432.53 g/mol
LogP2.77
Rot. Bonds4

About [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 124962428) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID124962428
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3-c3ccnc(N)c3)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H28N8O/c1-15-11-19(28-23(27-15)30-8-3-2-4-9-30)22(32)31-10-6-17(14-31)21-18(13-26-29-21)16-5-7-25-20(24)12-16/h5,7,11-13,17H,2-4,6,8-10,14H2,1H3,(H2,24,25)(H,26,29)/t17-/m1/s1
InChIKeyHIXJCJUCHYJPOL-QGZVFWFLSA-N
XLogP2.77
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-fluoro-1H-indol-2-yl)methanone
CID 124964173
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
cyclopropyl-[3-[4-[2-(2-methylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 118739901
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
cyclobutyl-[(3S)-3-[4-[2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 125017164
cyclobutyl-[(3R)-3-[4-[2-(2,2-dimethylpropylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 125025716
(3S)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 95821027
1-[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
CID 95816762
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95197091
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (CID 124962428) is [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3-c3ccnc(N)c3)C2)nc(N2CCCCC2)n1.
What is the InChIKey of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is HIXJCJUCHYJPOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N8O/c1-15-11-19(28-23(27-15)30-8-3-2-4-9-30)22(32)31-10-6-17(14-31)21-18(13-26-29-21)16-5-7-25-20(24)12-16/h5,7,11-13,17H,2-4,6,8-10,14H2,1H3,(H2,24,25)(H,26,29)/t17-/m1/s1.
What are the key properties of [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
[(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 432.53 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(2-amino-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 124962428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).