7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine

C17H26N4 — CID 91010126

IUPAC7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
SMILESCCCc1nn(C)c2ncc3c(c12)CCN(C(C)(C)C)C3
InChIInChI=1S/C17H26N4/c1-6-7-14-15-13-8-9-21(17(2,3)4)11-12(13)10-18-16(15)20(5)19-14/h10H,6-9,11H2,1-5H3
InChIKeyMVAPBCHJWYWPAH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.08
Rot. Bonds2

About 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine

7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine (PubChem CID 91010126) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine.

Molecular Properties

Compound Name7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
PubChem CID91010126
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
SMILESCCCc1nn(C)c2ncc3c(c12)CCN(C(C)(C)C)C3
InChIInChI=1S/C17H26N4/c1-6-7-14-15-13-8-9-21(17(2,3)4)11-12(13)10-18-16(15)20(5)19-14/h10H,6-9,11H2,1-5H3
InChIKeyMVAPBCHJWYWPAH-UHFFFAOYSA-N
XLogP3.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
The IUPAC name of 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine (CID 91010126) is 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine.
What is the SMILES notation for 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
The canonical SMILES for 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine is CCCc1nn(C)c2ncc3c(c12)CCN(C(C)(C)C)C3.
What is the InChIKey of 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
The InChIKey is MVAPBCHJWYWPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-7-14-15-13-8-9-21(17(2,3)4)11-12(13)10-18-16(15)20(5)19-14/h10H,6-9,11H2,1-5H3.
What are the key properties of 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine has a molecular weight of 286.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-methyl-1-propyl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine is sourced from PubChem (CID 91010126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).