[1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid

C26H22ClN9O2 — CID 175804955

IUPAC[1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid
SMILESCn1cc2c(Cl)c(-c3[nH]nc4nc(N5CCC(NC(=O)O)(c6ccccc6)CC5)nc(C#N)c34)ccc2n1
InChIInChI=1S/C26H22ClN9O2/c1-35-14-17-18(34-35)8-7-16(21(17)27)22-20-19(13-28)29-24(30-23(20)33-32-22)36-11-9-26(10-12-36,31-25(37)38)15-5-3-2-4-6-15/h2-8,14,31H,9-12H2,1H3,(H,37,38)(H,29,30,32,33)
InChIKeySLVMELUOZSWBLA-UHFFFAOYSA-N
MW527.98 g/mol
LogP4.19
Rot. Bonds4

About [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid

[1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid (PubChem CID 175804955) has the molecular formula C26H22ClN9O2 and a molecular weight of 527.98 g/mol. Its IUPAC name is [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid
PubChem CID175804955
Molecular FormulaC26H22ClN9O2
Molecular Weight527.98 g/mol
Exact Mass527.16
IUPAC Name[1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid
SMILESCn1cc2c(Cl)c(-c3[nH]nc4nc(N5CCC(NC(=O)O)(c6ccccc6)CC5)nc(C#N)c34)ccc2n1
InChIInChI=1S/C26H22ClN9O2/c1-35-14-17-18(34-35)8-7-16(21(17)27)22-20-19(13-28)29-24(30-23(20)33-32-22)36-11-9-26(10-12-36,31-25(37)38)15-5-3-2-4-6-15/h2-8,14,31H,9-12H2,1H3,(H,37,38)(H,29,30,32,33)
InChIKeySLVMELUOZSWBLA-UHFFFAOYSA-N
XLogP4.19
TPSA148.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.98
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid 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

[1-[4-cyano-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl] carbamate
CID 170319734
tert-butyl N-[1-[3-(7-chloro-2-methyl-1,3-benzothiazol-6-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-(2-fluorophenyl)piperidin-4-yl]carbamate
CID 166070591
6-(4-amino-4-phenylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 156805770
tert-butyl N-[1-(4-cyano-3-iodo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-phenylpiperidin-4-yl]carbamate
CID 166070588
[1-[5-(4-chloro-2-methylindazol-5-yl)-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-4-(2-fluorophenyl)piperidin-4-yl] carbamate
CID 175339026
6-[4-amino-4-(2-fluorophenyl)piperidin-1-yl]-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 166070667
3-(4-chloro-2-methylindazol-5-yl)-6-(2,7-diazaspiro[3.5]nonan-7-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 146307669
6-[4-amino-4-(2-fluorophenyl)piperidin-1-yl]-3-(7-chloro-2-methyl-1,3-benzothiazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 166070596
2-[4-amino-4-(2-fluorophenyl)piperidin-1-yl]-5-(4-chloro-2-methylindazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile
CID 166070605
6-(4-amino-4-methylpiperidin-1-yl)-3-(3,4-dichloro-1-methylindazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 166070671
[1-(3-bromo-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-yl]carbamic acid
CID 166652870
6-[4-amino-4-(1,2,2-trifluoroethyl)piperidin-1-yl]-3-(7-chloro-2-methyl-1,3-benzothiazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidine-4-carbonitrile
CID 175339028

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid (CID 175804955) is [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid is Cn1cc2c(Cl)c(-c3[nH]nc4nc(N5CCC(NC(=O)O)(c6ccccc6)CC5)nc(C#N)c34)ccc2n1.
What is the InChIKey of [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid?
The InChIKey is SLVMELUOZSWBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN9O2/c1-35-14-17-18(34-35)8-7-16(21(17)27)22-20-19(13-28)29-24(30-23(20)33-32-22)36-11-9-26(10-12-36,31-25(37)38)15-5-3-2-4-6-15/h2-8,14,31H,9-12H2,1H3,(H,37,38)(H,29,30,32,33).
What are the key properties of [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid?
[1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid has a molecular weight of 527.98 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chloro-2-methylindazol-5-yl)-4-cyano-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-4-phenylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 175804955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).