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

C26H24N6O2 — CID 151603181

IUPAC1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
SMILESC=C(C)c1cncc(Nc2c(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1
InChIInChI=1S/C26H24N6O2/c1-16(2)22-14-27-15-23(30-22)31-24-20(13-29-32(24)3)21-9-6-18(12-28-21)17-4-7-19(8-5-17)26(10-11-26)25(33)34/h4-9,12-15H,1,10-11H2,2-3H3,(H,30,31)(H,33,34)
InChIKeyQKXONKJAAKQTLX-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.83
Rot. Bonds7

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

1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 151603181) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID151603181
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
SMILESC=C(C)c1cncc(Nc2c(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1
InChIInChI=1S/C26H24N6O2/c1-16(2)22-14-27-15-23(30-22)31-24-20(13-29-32(24)3)21-9-6-18(12-28-21)17-4-7-19(8-5-17)26(10-11-26)25(33)34/h4-9,12-15H,1,10-11H2,2-3H3,(H,30,31)(H,33,34)
InChIKeyQKXONKJAAKQTLX-UHFFFAOYSA-N
XLogP4.83
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid (CID 151603181) is 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid is C=C(C)c1cncc(Nc2c(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1.
What is the InChIKey of 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QKXONKJAAKQTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-16(2)22-14-27-15-23(30-22)31-24-20(13-29-32(24)3)21-9-6-18(12-28-21)17-4-7-19(8-5-17)26(10-11-26)25(33)34/h4-9,12-15H,1,10-11H2,2-3H3,(H,30,31)(H,33,34).
What are the key properties of 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 452.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[1-methyl-5-[(6-prop-1-en-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 151603181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).