1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid

C23H23FN8O2 — CID 134440781

IUPAC1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cn4)nn3CC3CC3)ncn2)c(C)c1C(=O)O
InChIInChI=1S/C23H23FN8O2/c1-12-21(17-7-6-16(24)9-25-17)30-31(10-15-4-5-15)22(12)28-18-8-19(27-11-26-18)32-14(3)20(23(33)34)13(2)29-32/h6-9,11,15H,4-5,10H2,1-3H3,(H,33,34)(H,26,27,28)
InChIKeyULEIWTHMWOEYTE-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.84
Rot. Bonds7

About 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid

1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 134440781) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID134440781
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cn4)nn3CC3CC3)ncn2)c(C)c1C(=O)O
InChIInChI=1S/C23H23FN8O2/c1-12-21(17-7-6-16(24)9-25-17)30-31(10-15-4-5-15)22(12)28-18-8-19(27-11-26-18)32-14(3)20(23(33)34)13(2)29-32/h6-9,11,15H,4-5,10H2,1-3H3,(H,33,34)(H,26,27,28)
InChIKeyULEIWTHMWOEYTE-UHFFFAOYSA-N
XLogP3.84
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid (CID 134440781) is 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid is Cc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cn4)nn3CC3CC3)ncn2)c(C)c1C(=O)O.
What is the InChIKey of 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is ULEIWTHMWOEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-12-21(17-7-6-16(24)9-25-17)30-31(10-15-4-5-15)22(12)28-18-8-19(27-11-26-18)32-14(3)20(23(33)34)13(2)29-32/h6-9,11,15H,4-5,10H2,1-3H3,(H,33,34)(H,26,27,28).
What are the key properties of 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid?
1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 462.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 134440781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).