N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide

C23H23FN6O2 — CID 73335933

IUPACN-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESC[C@@H](CO)Nc1cc2nc(C(=O)N[C@@H](c3cccc(F)c3)c3cnn(C)c3)ccc2cn1
InChIInChI=1S/C23H23FN6O2/c1-14(13-31)27-21-9-20-16(10-25-21)6-7-19(28-20)23(32)29-22(17-11-26-30(2)12-17)15-4-3-5-18(24)8-15/h3-12,14,22,31H,13H2,1-2H3,(H,25,27)(H,29,32)/t14-,22-/m0/s1
InChIKeyDYJCEXHHRBVBCO-FPTDNZKUSA-N
MW434.48 g/mol
LogP2.81
Rot. Bonds7

About N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide

N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (PubChem CID 73335933) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
PubChem CID73335933
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC NameN-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
SMILESC[C@@H](CO)Nc1cc2nc(C(=O)N[C@@H](c3cccc(F)c3)c3cnn(C)c3)ccc2cn1
InChIInChI=1S/C23H23FN6O2/c1-14(13-31)27-21-9-20-16(10-25-21)6-7-19(28-20)23(32)29-22(17-11-26-30(2)12-17)15-4-3-5-18(24)8-15/h3-12,14,22,31H,13H2,1-2H3,(H,25,27)(H,29,32)/t14-,22-/m0/s1
InChIKeyDYJCEXHHRBVBCO-FPTDNZKUSA-N
XLogP2.81
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide (CID 73335933) is N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is C[C@@H](CO)Nc1cc2nc(C(=O)N[C@@H](c3cccc(F)c3)c3cnn(C)c3)ccc2cn1.
What is the InChIKey of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
The InChIKey is DYJCEXHHRBVBCO-FPTDNZKUSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14(13-31)27-21-9-20-16(10-25-21)6-7-19(28-20)23(32)29-22(17-11-26-30(2)12-17)15-4-3-5-18(24)8-15/h3-12,14,22,31H,13H2,1-2H3,(H,25,27)(H,29,32)/t14-,22-/m0/s1.
What are the key properties of N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide?
N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 73335933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).