N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C25H23FN10O — CID 122445408

IUPACN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)nc2)n1
InChIInChI=1S/C25H23FN10O/c1-14-8-21(32-22-9-15(2)34-35-22)33-24(30-14)18-4-6-20(27-11-18)25(37)31-16(3)17-5-7-23(28-10-17)36-13-19(26)12-29-36/h4-13,16H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t16-/m0/s1
InChIKeyPVPZNPSNUVCYEQ-INIZCTEOSA-N
MW498.53 g/mol
LogP3.83
Rot. Bonds7

About N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 122445408) has the molecular formula C25H23FN10O and a molecular weight of 498.53 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID122445408
Molecular FormulaC25H23FN10O
Molecular Weight498.53 g/mol
Exact Mass498.20
IUPAC NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)nc2)n1
InChIInChI=1S/C25H23FN10O/c1-14-8-21(32-22-9-15(2)34-35-22)33-24(30-14)18-4-6-20(27-11-18)25(37)31-16(3)17-5-7-23(28-10-17)36-13-19(26)12-29-36/h4-13,16H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t16-/m0/s1
InChIKeyPVPZNPSNUVCYEQ-INIZCTEOSA-N
XLogP3.83
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 122445408) is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)nc2)n1.
What is the InChIKey of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is PVPZNPSNUVCYEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H23FN10O/c1-14-8-21(32-22-9-15(2)34-35-22)33-24(30-14)18-4-6-20(27-11-18)25(37)31-16(3)17-5-7-23(28-10-17)36-13-19(26)12-29-36/h4-13,16H,1-3H3,(H,31,37)(H2,30,32,33,34,35)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122445408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).