N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide

C25H24F2N6O2 — CID 67455157

IUPACN-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide
SMILESC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1CNC(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C25H24F2N6O2/c1-14(15-6-8-18(26)9-7-15)29-23-17(13-28-25(34)21-3-2-10-35-21)11-19(27)24(31-23)30-22-12-20(32-33-22)16-4-5-16/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,28,34)(H3,29,30,31,32,33)/t14-/m0/s1
InChIKeyLZYXTIJBVDABNW-AWEZNQCLSA-N
MW478.50 g/mol
LogP5.40
Rot. Bonds9

About N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide

N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide (PubChem CID 67455157) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide
PubChem CID67455157
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC NameN-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide
SMILESC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1CNC(=O)c1ccco1)c1ccc(F)cc1
InChIInChI=1S/C25H24F2N6O2/c1-14(15-6-8-18(26)9-7-15)29-23-17(13-28-25(34)21-3-2-10-35-21)11-19(27)24(31-23)30-22-12-20(32-33-22)16-4-5-16/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,28,34)(H3,29,30,31,32,33)/t14-/m0/s1
InChIKeyLZYXTIJBVDABNW-AWEZNQCLSA-N
XLogP5.40
TPSA107.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.50
LogP ≤ 55.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide (CID 67455157) is N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide is C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1CNC(=O)c1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide?
The InChIKey is LZYXTIJBVDABNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-14(15-6-8-18(26)9-7-15)29-23-17(13-28-25(34)21-3-2-10-35-21)11-19(27)24(31-23)30-22-12-20(32-33-22)16-4-5-16/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,28,34)(H3,29,30,31,32,33)/t14-/m0/s1.
What are the key properties of N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide?
N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 67455157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).