2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride

C27H29ClN6O2 — CID 155661070

IUPAC2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride
SMILESCc1cc(C2CC2C(=O)O)ccc1-c1ccc(-c2cnn(C)c2Nc2cncc(C(C)C)n2)nc1.Cl
InChIInChI=1S/C27H28N6O2.ClH/c1-15(2)24-13-28-14-25(31-24)32-26-22(12-30-33(26)4)23-8-6-18(11-29-23)19-7-5-17(9-16(19)3)20-10-21(20)27(34)35;/h5-9,11-15,20-21H,10H2,1-4H3,(H,31,32)(H,34,35);1H
InChIKeyOVUOANFCDKEBKL-UHFFFAOYSA-N
MW505.02 g/mol
LogP5.72
Rot. Bonds7

About 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride

2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 155661070) has the molecular formula C27H29ClN6O2 and a molecular weight of 505.02 g/mol. Its IUPAC name is 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID155661070
Molecular FormulaC27H29ClN6O2
Molecular Weight505.02 g/mol
Exact Mass504.20
IUPAC Name2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride
SMILESCc1cc(C2CC2C(=O)O)ccc1-c1ccc(-c2cnn(C)c2Nc2cncc(C(C)C)n2)nc1.Cl
InChIInChI=1S/C27H28N6O2.ClH/c1-15(2)24-13-28-14-25(31-24)32-26-22(12-30-33(26)4)23-8-6-18(11-29-23)19-7-5-17(9-16(19)3)20-10-21(20)27(34)35;/h5-9,11-15,20-21H,10H2,1-4H3,(H,31,32)(H,34,35);1H
InChIKeyOVUOANFCDKEBKL-UHFFFAOYSA-N
XLogP5.72
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride with MolForge

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Related Compounds

(I(2)S,3R)-I(2)-[3-(1,4-Dimethyl-1H-pyrazol-5-yl)phenyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-1-pyrrolidinebutanoic acid
CID 131985476
trans-(1S,2S)-2-[4-(3-methyl-1-pyridin-2-ylindazol-6-yl)phenyl]cyclopropane-1-carboxylic acid
CID 137637713
trans-(1S,2S)-2-[3-fluoro-4-[3-methyl-1-(5-methyl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137638318
4-(hydroxymethyl)-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 132056004
US11365185, Example 13B
CID 137534625
US11365185, Example 21B
CID 137534695
US11365185, Example 8B
CID 137534726
US11365185, Example 4B
CID 137534730
US11365185, Example 12B
CID 137546536
US10253004, Example 36
CID 145866082
3-[4-(4-Methyl-1-pyridin-2-ylindazol-6-yl)phenyl]propanoic acid
CID 137642248
3-[4-(3-Methyl-1-pyridin-2-ylpyrazolo[4,3-c]pyridin-6-yl)phenyl]propanoic acid
CID 137646368

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride (CID 155661070) is 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride is Cc1cc(C2CC2C(=O)O)ccc1-c1ccc(-c2cnn(C)c2Nc2cncc(C(C)C)n2)nc1.Cl.
What is the InChIKey of 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is OVUOANFCDKEBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.ClH/c1-15(2)24-13-28-14-25(31-24)32-26-22(12-30-33(26)4)23-8-6-18(11-29-23)19-7-5-17(9-16(19)3)20-10-21(20)27(34)35;/h5-9,11-15,20-21H,10H2,1-4H3,(H,31,32)(H,34,35);1H.
What are the key properties of 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride?
2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 505.02 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[6-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155661070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).