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

C25H25N7O2 — CID 150960489

IUPAC1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1cncc(Nc2c(-c3ncc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1
InChIInChI=1S/C25H25N7O2/c1-15(2)20-13-26-14-21(30-20)31-23-19(12-29-32(23)3)22-27-10-17(11-28-22)16-4-6-18(7-5-16)25(8-9-25)24(33)34/h4-7,10-15H,8-9H2,1-3H3,(H,30,31)(H,33,34)
InChIKeyLLZJBRCDXQKHNK-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.32
Rot. Bonds7

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

1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 150960489) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID150960489
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1cncc(Nc2c(-c3ncc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1
InChIInChI=1S/C25H25N7O2/c1-15(2)20-13-26-14-21(30-20)31-23-19(12-29-32(23)3)22-27-10-17(11-28-22)16-4-6-18(7-5-16)25(8-9-25)24(33)34/h4-7,10-15H,8-9H2,1-3H3,(H,30,31)(H,33,34)
InChIKeyLLZJBRCDXQKHNK-UHFFFAOYSA-N
XLogP4.32
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid (CID 150960489) is 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid is CC(C)c1cncc(Nc2c(-c3ncc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1.
What is the InChIKey of 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is LLZJBRCDXQKHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-15(2)20-13-26-14-21(30-20)31-23-19(12-29-32(23)3)22-27-10-17(11-28-22)16-4-6-18(7-5-16)25(8-9-25)24(33)34/h4-7,10-15H,8-9H2,1-3H3,(H,30,31)(H,33,34).
What are the key properties of 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 455.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-methyl-5-[(6-propan-2-ylpyrazin-2-yl)amino]pyrazol-4-yl]pyrimidin-5-yl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 150960489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).