[(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone

C20H24N10O3S — CID 71136326

IUPAC[(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone
SMILESC[C@H]1C[C@H](c2nc3c(-c4cn[nH]c4)cnn3c(N)c2S(C)(=O)=O)CCN1C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C20H24N10O3S/c1-10-5-11(3-4-29(10)20(31)14-6-15(21)28-27-14)16-17(34(2,32)33)18(22)30-19(26-16)13(9-25-30)12-7-23-24-8-12/h6-11H,3-5,22H2,1-2H3,(H,23,24)(H3,21,27,28)/t10-,11+/m0/s1
InChIKeyICLKZUZEZWSYCX-WDEREUQCSA-N
MW484.55 g/mol
LogP0.82
Rot. Bonds4

About [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone

[(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone (PubChem CID 71136326) has the molecular formula C20H24N10O3S and a molecular weight of 484.55 g/mol. Its IUPAC name is [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone
PubChem CID71136326
Molecular FormulaC20H24N10O3S
Molecular Weight484.55 g/mol
Exact Mass484.18
IUPAC Name[(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone
SMILESC[C@H]1C[C@H](c2nc3c(-c4cn[nH]c4)cnn3c(N)c2S(C)(=O)=O)CCN1C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C20H24N10O3S/c1-10-5-11(3-4-29(10)20(31)14-6-15(21)28-27-14)16-17(34(2,32)33)18(22)30-19(26-16)13(9-25-30)12-7-23-24-8-12/h6-11H,3-5,22H2,1-2H3,(H,23,24)(H3,21,27,28)/t10-,11+/m0/s1
InChIKeyICLKZUZEZWSYCX-WDEREUQCSA-N
XLogP0.82
TPSA194.04 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

CID 134539528
CID 134539528
CID 134539614
CID 134539614
CID 67294413
CID 67294413
CID 67294530
CID 67294530
CID 67294539
CID 67294539
CID 67294790
CID 67294790
CID 67294895
CID 67294895
CID 67294919
CID 67294919
CID 67295260
CID 67295260
CID 67295296
CID 67295296
CID 68273587
CID 68273587
CID 68273604
CID 68273604

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone (CID 71136326) is [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone is C[C@H]1C[C@H](c2nc3c(-c4cn[nH]c4)cnn3c(N)c2S(C)(=O)=O)CCN1C(=O)c1cc(N)n[nH]1.
What is the InChIKey of [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone?
The InChIKey is ICLKZUZEZWSYCX-WDEREUQCSA-N. The full InChI is InChI=1S/C20H24N10O3S/c1-10-5-11(3-4-29(10)20(31)14-6-15(21)28-27-14)16-17(34(2,32)33)18(22)30-19(26-16)13(9-25-30)12-7-23-24-8-12/h6-11H,3-5,22H2,1-2H3,(H,23,24)(H3,21,27,28)/t10-,11+/m0/s1.
What are the key properties of [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone?
[(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone has a molecular weight of 484.55 g/mol, XLogP of 0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-[7-amino-6-methylsulfonyl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-methylpiperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 71136326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).