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

C26H31FN10O2 — CID 134192879

IUPACN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C26H31FN10O2/c1-16-11-21(32-22-12-17(2)34-35-22)33-25(30-16)36-9-7-26(39-4,8-10-36)24(38)31-18(3)19-5-6-23(28-13-19)37-15-20(27)14-29-37/h5-6,11-15,18H,7-10H2,1-4H3,(H,31,38)(H2,30,32,33,34,35)/t18-/m0/s1
InChIKeyLPCAMCNNOPVGHE-SFHVURJKSA-N
MW534.60 g/mol
LogP3.14
Rot. Bonds8

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

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 134192879) has the molecular formula C26H31FN10O2 and a molecular weight of 534.60 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID134192879
Molecular FormulaC26H31FN10O2
Molecular Weight534.60 g/mol
Exact Mass534.26
IUPAC NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C26H31FN10O2/c1-16-11-21(32-22-12-17(2)34-35-22)33-25(30-16)36-9-7-26(39-4,8-10-36)24(38)31-18(3)19-5-6-23(28-13-19)37-15-20(27)14-29-37/h5-6,11-15,18H,7-10H2,1-4H3,(H,31,38)(H2,30,32,33,34,35)/t18-/m0/s1
InChIKeyLPCAMCNNOPVGHE-SFHVURJKSA-N
XLogP3.14
TPSA138.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.60
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (CID 134192879) is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-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-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1.
What is the InChIKey of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is LPCAMCNNOPVGHE-SFHVURJKSA-N. The full InChI is InChI=1S/C26H31FN10O2/c1-16-11-21(32-22-12-17(2)34-35-22)33-25(30-16)36-9-7-26(39-4,8-10-36)24(38)31-18(3)19-5-6-23(28-13-19)37-15-20(27)14-29-37/h5-6,11-15,18H,7-10H2,1-4H3,(H,31,38)(H2,30,32,33,34,35)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 534.60 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 134192879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).