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

C25H29FN10O2 — CID 134192999

IUPACN-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C25H29FN10O2/c1-16-10-20(31-21-11-17(2)33-34-21)32-24(30-16)35-8-6-25(38-3,7-9-35)23(37)28-13-18-4-5-22(27-12-18)36-15-19(26)14-29-36/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,28,37)(H2,30,31,32,33,34)
InChIKeyZIDWFPQTGVFMQQ-UHFFFAOYSA-N
MW520.57 g/mol
LogP2.58
Rot. Bonds8

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

N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 134192999) has the molecular formula C25H29FN10O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID134192999
Molecular FormulaC25H29FN10O2
Molecular Weight520.57 g/mol
Exact Mass520.25
IUPAC NameN-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C25H29FN10O2/c1-16-10-20(31-21-11-17(2)33-34-21)32-24(30-16)35-8-6-25(38-3,7-9-35)23(37)28-13-18-4-5-22(27-12-18)36-15-19(26)14-29-36/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,28,37)(H2,30,31,32,33,34)
InChIKeyZIDWFPQTGVFMQQ-UHFFFAOYSA-N
XLogP2.58
TPSA138.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (CID 134192999) is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is COC1(C(=O)NCc2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1.
What is the InChIKey of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is ZIDWFPQTGVFMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN10O2/c1-16-10-20(31-21-11-17(2)33-34-21)32-24(30-16)35-8-6-25(38-3,7-9-35)23(37)28-13-18-4-5-22(27-12-18)36-15-19(26)14-29-36/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,28,37)(H2,30,31,32,33,34).
What are the key properties of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 134192999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).