3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine

C23H26N8 — CID 135345232

IUPAC3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCc1ccncc1-c1cc2cc(Nc3cnn(C4CCNCC4)c3)ncc2c(N)n1
InChIInChI=1S/C23H26N8/c1-2-15-3-6-26-12-19(15)21-9-16-10-22(27-13-20(16)23(24)30-21)29-17-11-28-31(14-17)18-4-7-25-8-5-18/h3,6,9-14,18,25H,2,4-5,7-8H2,1H3,(H2,24,30)(H,27,29)
InChIKeyYROKYYVHWHBLSC-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.70
Rot. Bonds5

About 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine

3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 135345232) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID135345232
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCc1ccncc1-c1cc2cc(Nc3cnn(C4CCNCC4)c3)ncc2c(N)n1
InChIInChI=1S/C23H26N8/c1-2-15-3-6-26-12-19(15)21-9-16-10-22(27-13-20(16)23(24)30-21)29-17-11-28-31(14-17)18-4-7-25-8-5-18/h3,6,9-14,18,25H,2,4-5,7-8H2,1H3,(H2,24,30)(H,27,29)
InChIKeyYROKYYVHWHBLSC-UHFFFAOYSA-N
XLogP3.70
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 159211145
3-(4-ethyl-3-pyridinyl)-6-N-(1-methylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135344997
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
CID 135344778
(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol
CID 139469178
2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 160773529
2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
CID 135344550
N-[[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-methoxymethyl]cyclopropanecarboxamide
CID 140921120
cis-(1S,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 139469137
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
trans-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344959
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine (CID 135345232) is 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine is CCc1ccncc1-c1cc2cc(Nc3cnn(C4CCNCC4)c3)ncc2c(N)n1.
What is the InChIKey of 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is YROKYYVHWHBLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-2-15-3-6-26-12-19(15)21-9-16-10-22(27-13-20(16)23(24)30-21)29-17-11-28-31(14-17)18-4-7-25-8-5-18/h3,6,9-14,18,25H,2,4-5,7-8H2,1H3,(H2,24,30)(H,27,29).
What are the key properties of 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 414.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 135345232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).