2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

C25H29FN8O — CID 134440309

IUPAC2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cn4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C25H29FN8O/c1-14-23(19-9-8-18(26)11-27-19)32-33(12-17-6-7-17)24(14)30-20-10-21(29-13-28-20)34-16(3)22(15(2)31-34)25(4,5)35/h8-11,13,17,35H,6-7,12H2,1-5H3,(H,28,29,30)
InChIKeyNBTMKKHVGAIDAT-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.37
Rot. Bonds7

About 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (PubChem CID 134440309) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
PubChem CID134440309
Molecular FormulaC25H29FN8O
Molecular Weight476.56 g/mol
Exact Mass476.24
IUPAC Name2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cn4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C25H29FN8O/c1-14-23(19-9-8-18(26)11-27-19)32-33(12-17-6-7-17)24(14)30-20-10-21(29-13-28-20)34-16(3)22(15(2)31-34)25(4,5)35/h8-11,13,17,35H,6-7,12H2,1-5H3,(H,28,29,30)
InChIKeyNBTMKKHVGAIDAT-UHFFFAOYSA-N
XLogP4.37
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (CID 134440309) is 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is Cc1nn(-c2cc(Nc3c(C)c(-c4ccc(F)cn4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O.
What is the InChIKey of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The InChIKey is NBTMKKHVGAIDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O/c1-14-23(19-9-8-18(26)11-27-19)32-33(12-17-6-7-17)24(14)30-20-10-21(29-13-28-20)34-16(3)22(15(2)31-34)25(4,5)35/h8-11,13,17,35H,6-7,12H2,1-5H3,(H,28,29,30).
What are the key properties of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol has a molecular weight of 476.56 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 134440309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).