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

C24H27N7 — CID 159211145

IUPAC3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCc1ccccc1-c1cc2cc(Nc3cnn(C4CCNCC4)c3)ncc2c(N)n1
InChIInChI=1S/C24H27N7/c1-2-16-5-3-4-6-20(16)22-11-17-12-23(27-14-21(17)24(25)30-22)29-18-13-28-31(15-18)19-7-9-26-10-8-19/h3-6,11-15,19,26H,2,7-10H2,1H3,(H2,25,30)(H,27,29)
InChIKeyVMBKYHLWKFOJQT-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.31
Rot. Bonds5

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

3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 159211145) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID159211145
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCc1ccccc1-c1cc2cc(Nc3cnn(C4CCNCC4)c3)ncc2c(N)n1
InChIInChI=1S/C24H27N7/c1-2-16-5-3-4-6-20(16)22-11-17-12-23(27-14-21(17)24(25)30-22)29-18-13-28-31(15-18)19-7-9-26-10-8-19/h3-6,11-15,19,26H,2,7-10H2,1H3,(H2,25,30)(H,27,29)
InChIKeyVMBKYHLWKFOJQT-UHFFFAOYSA-N
XLogP4.31
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135345232
2-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 160773529
3-(4-ethyl-3-pyridinyl)-6-N-(1-methylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135344997
(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
2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol
CID 175422586
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 158576696
(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
N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1-methylpyrazole-4-carboxamide;N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-methylpyrazole-3-carboxamide;3-(2-ethylphenyl)-6-N-(1-methylpyrazol-3-yl)-2,7-naphthyridine-1,6-diamine;3-(2-ethylphenyl)-6-N-(1-methylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine;3-(2-ethylphenyl)-6-N-(1H-pyrazol-4-yl)-2,7-naphthyridine-1,6-diamine;3-(2-ethylphenyl)-6-N-(1H-pyrazol-5-yl)-2,7-naphthyridine-1,6-diamine
CID 159801044
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
3-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-1,1-dimethylurea;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 158167794
8-[[5-fluoro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]-4-pyridinyl]amino]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 44608551
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine (CID 159211145) is 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine is CCc1ccccc1-c1cc2cc(Nc3cnn(C4CCNCC4)c3)ncc2c(N)n1.
What is the InChIKey of 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is VMBKYHLWKFOJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-2-16-5-3-4-6-20(16)22-11-17-12-23(27-14-21(17)24(25)30-22)29-18-13-28-31(15-18)19-7-9-26-10-8-19/h3-6,11-15,19,26H,2,7-10H2,1H3,(H2,25,30)(H,27,29).
What are the key properties of 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine?
3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 413.53 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 159211145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).