7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine

C17H20N6 — CID 4974193

IUPAC7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
SMILESCCN1CCc2c(c(Nc3ccccc3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C17H20N6/c1-2-23-9-8-12-13(10-23)16(19-11-6-4-3-5-7-11)20-17-14(12)15(18)21-22-17/h3-7H,2,8-10H2,1H3,(H4,18,19,20,21,22)
InChIKeyIUXJRJDOGPMEEG-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.66
Rot. Bonds3

About 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine

7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine (PubChem CID 4974193) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine.

Molecular Properties

Compound Name7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
PubChem CID4974193
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine
SMILESCCN1CCc2c(c(Nc3ccccc3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C17H20N6/c1-2-23-9-8-12-13(10-23)16(19-11-6-4-3-5-7-11)20-17-14(12)15(18)21-22-17/h3-7H,2,8-10H2,1H3,(H4,18,19,20,21,22)
InChIKeyIUXJRJDOGPMEEG-UHFFFAOYSA-N
XLogP2.66
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Enmd-2076
CID 16041424
Cgp 57380
CID 11644425
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine, N,N'-diphenyl-
CID 5327823
3-benzylamino-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327835
4-Benzylamino-3-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327848
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
VU2957
CID 134191471
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
n-[4-(3-Amino-1h-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-n'-(3-methylphenyl)urea
CID 11646161

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The IUPAC name of 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine (CID 4974193) is 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine.
What is the SMILES notation for 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The canonical SMILES for 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine is CCN1CCc2c(c(Nc3ccccc3)nc3n[nH]c(N)c23)C1.
What is the InChIKey of 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
The InChIKey is IUXJRJDOGPMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-23-9-8-12-13(10-23)16(19-11-6-4-3-5-7-11)20-17-14(12)15(18)21-22-17/h3-7H,2,8-10H2,1H3,(H4,18,19,20,21,22).
What are the key properties of 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine?
7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-N-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine-1,5-diamine is sourced from PubChem (CID 4974193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).