1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone

C46H48N16O2 — CID 158509656

IUPAC1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1.CC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1
InChIInChI=1S/2C23H24N8O/c2*1-14-3-5-25-10-19(14)21-7-16-8-22(26-11-20(16)23(24)29-21)28-17-9-27-31(12-17)18-4-6-30(13-18)15(2)32/h2*3,5,7-12,18H,4,6,13H2,1-2H3,(H2,24,29)(H,26,28)/t18-;/m0./s1
InChIKeyHKWXJBSWWRVOSH-FERBBOLQSA-N
MW857.00 g/mol
LogP6.63
Rot. Bonds8

About 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone

1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone (PubChem CID 158509656) has the molecular formula C46H48N16O2 and a molecular weight of 857.00 g/mol. Its IUPAC name is 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
PubChem CID158509656
Molecular FormulaC46H48N16O2
Molecular Weight857.00 g/mol
Exact Mass856.41
IUPAC Name1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1.CC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1
InChIInChI=1S/2C23H24N8O/c2*1-14-3-5-25-10-19(14)21-7-16-8-22(26-11-20(16)23(24)29-21)28-17-9-27-31(12-17)18-4-6-30(13-18)15(2)32/h2*3,5,7-12,18H,4,6,13H2,1-2H3,(H2,24,29)(H,26,28)/t18-;/m0./s1
InChIKeyHKWXJBSWWRVOSH-FERBBOLQSA-N
XLogP6.63
TPSA229.70 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.00
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379594
1-[4-[4-[[8-Methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 89708806
1-[4-[4-[[8-Methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 89708889
1-[4-[4-[[8-Methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 89708984
N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 138588746
1-[4-[4-[[8-Methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 89708819
1-[8-Amino-5-fluoro-6-(4-methyl-3-pyridyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 135344822
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137034132
2-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138587995
2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590697

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone (CID 158509656) is 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1.CC(=O)N1CC[C@H](n2cc(Nc3cc4cc(-c5cnccc5C)nc(N)c4cn3)cn2)C1.
What is the InChIKey of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is HKWXJBSWWRVOSH-FERBBOLQSA-N. The full InChI is InChI=1S/2C23H24N8O/c2*1-14-3-5-25-10-19(14)21-7-16-8-22(26-11-20(16)23(24)29-21)28-17-9-27-31(12-17)18-4-6-30(13-18)15(2)32/h2*3,5,7-12,18H,4,6,13H2,1-2H3,(H2,24,29)(H,26,28)/t18-;/m0./s1.
What are the key properties of 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 857.00 g/mol, XLogP of 6.63, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone;1-[3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 158509656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).