N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C26H29FN10O — CID 138961835

IUPACN-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(NC3CC(C)NN3)n2)cn1)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C26H29FN10O/c1-4-20(17-6-8-24(29-11-17)37-14-19(27)13-30-37)32-26(38)21-7-5-18(12-28-21)25-31-15(2)9-22(34-25)33-23-10-16(3)35-36-23/h5-9,11-14,16,20,23,35-36H,4,10H2,1-3H3,(H,32,38)(H,31,33,34)/t16?,20-,23?/m1/s1
InChIKeyZALONHYDRWVGJC-VRVFXRSRSA-N
MW516.59 g/mol
LogP3.07
Rot. Bonds8

About N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 138961835) has the molecular formula C26H29FN10O and a molecular weight of 516.59 g/mol. Its IUPAC name is N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID138961835
Molecular FormulaC26H29FN10O
Molecular Weight516.59 g/mol
Exact Mass516.25
IUPAC NameN-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(NC3CC(C)NN3)n2)cn1)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C26H29FN10O/c1-4-20(17-6-8-24(29-11-17)37-14-19(27)13-30-37)32-26(38)21-7-5-18(12-28-21)25-31-15(2)9-22(34-25)33-23-10-16(3)35-36-23/h5-9,11-14,16,20,23,35-36H,4,10H2,1-3H3,(H,32,38)(H,31,33,34)/t16?,20-,23?/m1/s1
InChIKeyZALONHYDRWVGJC-VRVFXRSRSA-N
XLogP3.07
TPSA134.57 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.59
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 138961835) is N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is CC[C@@H](NC(=O)c1ccc(-c2nc(C)cc(NC3CC(C)NN3)n2)cn1)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is ZALONHYDRWVGJC-VRVFXRSRSA-N. The full InChI is InChI=1S/C26H29FN10O/c1-4-20(17-6-8-24(29-11-17)37-14-19(27)13-30-37)32-26(38)21-7-5-18(12-28-21)25-31-15(2)9-22(34-25)33-23-10-16(3)35-36-23/h5-9,11-14,16,20,23,35-36H,4,10H2,1-3H3,(H,32,38)(H,31,33,34)/t16?,20-,23?/m1/s1.
What are the key properties of N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 516.59 g/mol, XLogP of 3.07, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]-5-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 138961835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).