1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile

C24H23F2N9 — CID 134440811

IUPAC1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(C(F)F)nc4)nn3CC3CC3)ncn2)c(C)c1C#N
InChIInChI=1S/C24H23F2N9/c1-13-22(17-6-7-19(23(25)26)28-10-17)33-34(11-16-4-5-16)24(13)31-20-8-21(30-12-29-20)35-15(3)18(9-27)14(2)32-35/h6-8,10,12,16,23H,4-5,11H2,1-3H3,(H,29,30,31)
InChIKeyKUNVRDTYCUQXSK-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.81
Rot. Bonds7

About 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile

1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile (PubChem CID 134440811) has the molecular formula C24H23F2N9 and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile
PubChem CID134440811
Molecular FormulaC24H23F2N9
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(C(F)F)nc4)nn3CC3CC3)ncn2)c(C)c1C#N
InChIInChI=1S/C24H23F2N9/c1-13-22(17-6-7-19(23(25)26)28-10-17)33-34(11-16-4-5-16)24(13)31-20-8-21(30-12-29-20)35-15(3)18(9-27)14(2)32-35/h6-8,10,12,16,23H,4-5,11H2,1-3H3,(H,29,30,31)
InChIKeyKUNVRDTYCUQXSK-UHFFFAOYSA-N
XLogP4.81
TPSA110.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile (CID 134440811) is 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile is Cc1nn(-c2cc(Nc3c(C)c(-c4ccc(C(F)F)nc4)nn3CC3CC3)ncn2)c(C)c1C#N.
What is the InChIKey of 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile?
The InChIKey is KUNVRDTYCUQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N9/c1-13-22(17-6-7-19(23(25)26)28-10-17)33-34(11-16-4-5-16)24(13)31-20-8-21(30-12-29-20)35-15(3)18(9-27)14(2)32-35/h6-8,10,12,16,23H,4-5,11H2,1-3H3,(H,29,30,31).
What are the key properties of 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile?
1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile has a molecular weight of 475.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 134440811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).