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

C25H29FN10O2 — CID 134204039

IUPACN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(O)(C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C25H29FN10O2/c1-15-10-20(31-21-11-16(2)33-34-21)32-24(29-15)35-8-6-25(38,7-9-35)23(37)30-17(3)18-4-5-22(27-12-18)36-14-19(26)13-28-36/h4-5,10-14,17,38H,6-9H2,1-3H3,(H,30,37)(H2,29,31,32,33,34)/t17-/m0/s1
InChIKeyBTABJYLSGQNCCX-KRWDZBQOSA-N
MW520.57 g/mol
LogP2.49
Rot. Bonds7

About N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-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-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 134204039) has the molecular formula C25H29FN10O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-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-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID134204039
Molecular FormulaC25H29FN10O2
Molecular Weight520.57 g/mol
Exact Mass520.25
IUPAC NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(O)(C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C25H29FN10O2/c1-15-10-20(31-21-11-16(2)33-34-21)32-24(29-15)35-8-6-25(38,7-9-35)23(37)30-17(3)18-4-5-22(27-12-18)36-14-19(26)13-28-36/h4-5,10-14,17,38H,6-9H2,1-3H3,(H,30,37)(H2,29,31,32,33,34)/t17-/m0/s1
InChIKeyBTABJYLSGQNCCX-KRWDZBQOSA-N
XLogP2.49
TPSA149.77 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-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-hydroxy-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-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (CID 134204039) is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-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-hydroxy-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-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC(O)(C(=O)N[C@@H](C)c3ccc(-n4cc(F)cn4)nc3)CC2)n1.
What is the InChIKey of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is BTABJYLSGQNCCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H29FN10O2/c1-15-10-20(31-21-11-16(2)33-34-21)32-24(29-15)35-8-6-25(38,7-9-35)23(37)30-17(3)18-4-5-22(27-12-18)36-14-19(26)13-28-36/h4-5,10-14,17,38H,6-9H2,1-3H3,(H,30,37)(H2,29,31,32,33,34)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-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-hydroxy-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 2.49, 7 rotatable bonds, 4 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-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 134204039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).