4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

C26H25N7O2 — CID 91132525

IUPAC4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
SMILESCc1c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccc5[nH]ncc5c4)nc3)cnn2c1N
InChIInChI=1S/C26H25N7O2/c1-14-23(15-2-4-16(5-3-15)26(34)35)31-25-20(13-30-33(25)24(14)27)18-7-8-21(28-11-18)17-6-9-22-19(10-17)12-29-32-22/h6-13,15-16H,2-5,27H2,1H3,(H,29,32)(H,34,35)
InChIKeyUIEVMJXETIZECJ-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.58
Rot. Bonds4

About 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 91132525) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
PubChem CID91132525
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
SMILESCc1c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccc5[nH]ncc5c4)nc3)cnn2c1N
InChIInChI=1S/C26H25N7O2/c1-14-23(15-2-4-16(5-3-15)26(34)35)31-25-20(13-30-33(25)24(14)27)18-7-8-21(28-11-18)17-6-9-22-19(10-17)12-29-32-22/h6-13,15-16H,2-5,27H2,1H3,(H,29,32)(H,34,35)
InChIKeyUIEVMJXETIZECJ-UHFFFAOYSA-N
XLogP4.58
TPSA135.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic 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

(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
(2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 57385622
2-[1-[2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225655
2-[1-[2-[[1-(Cyclopropylmethyl)-4-methylpyrazol-5-yl]methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225636
2-[1-[2-[(2-Benzylpyrazol-3-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71226159
US10030027, Example 22A
CID 129242619
US10030027, Example 114A
CID 129242650
US10030027, Example 17AB
CID 129242745
US10030027, Example 11B
CID 129242960
US10030027, Example 21B
CID 129242977
US10030027, Example 148A
CID 129242994
US10030027, Example 232B
CID 129243336

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (CID 91132525) is 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is Cc1c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccc5[nH]ncc5c4)nc3)cnn2c1N.
What is the InChIKey of 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The InChIKey is UIEVMJXETIZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-14-23(15-2-4-16(5-3-15)26(34)35)31-25-20(13-30-33(25)24(14)27)18-7-8-21(28-11-18)17-6-9-22-19(10-17)12-29-32-22/h6-13,15-16H,2-5,27H2,1H3,(H,29,32)(H,34,35).
What are the key properties of 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 467.53 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-3-[6-(1H-indazol-5-yl)-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91132525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).