(6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine

C20H17N3 — CID 127032409

IUPAC(6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
SMILESc1ccc2c(c1)C[C@@H]1[C@H]2c2ncccc2N[C@@H]1c1ccncc1
InChIInChI=1S/C20H17N3/c1-2-5-15-14(4-1)12-16-18(15)20-17(6-3-9-22-20)23-19(16)13-7-10-21-11-8-13/h1-11,16,18-19,23H,12H2/t16-,18+,19-/m1/s1
InChIKeySBKBZHVNXNQAQY-NZSAHSFTSA-N
MW299.38 g/mol
LogP3.95
Rot. Bonds1

About (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine

(6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine (PubChem CID 127032409) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine.

Molecular Properties

Compound Name(6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
PubChem CID127032409
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name(6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
SMILESc1ccc2c(c1)C[C@@H]1[C@H]2c2ncccc2N[C@@H]1c1ccncc1
InChIInChI=1S/C20H17N3/c1-2-5-15-14(4-1)12-16-18(15)20-17(6-3-9-22-20)23-19(16)13-7-10-21-11-8-13/h1-11,16,18-19,23H,12H2/t16-,18+,19-/m1/s1
InChIKeySBKBZHVNXNQAQY-NZSAHSFTSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,6aR,11bR)-6-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
CID 46217840
(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
CID 155513688
4-(2-methyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)benzoic acid
CID 58190109
(6S,6aR,11bS)-6-(4-bromophenyl)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
CID 126002683
6-[4-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10223084
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
4-[(6R,6aS,11bR)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]benzoic acid
CID 7381746
methyl 4-[(6S,6aS,11bS)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]benzoate
CID 7479287
(6R,6aR,11bR)-6-(3-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboxylic acid
CID 1289666
11,11a-dihydro-6aH-pyrido[2,3-a]carbazole
CID 72715327
(6S,6aS,11bR)-6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-4-carboxylic acid
CID 126004666
(6R,6aR,11bS)-6-(3,4-dimethoxyphenyl)-2-nitro-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline
CID 126004937

Frequently Asked Questions

What is the IUPAC name of (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The IUPAC name of (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine (CID 127032409) is (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine.
What is the SMILES notation for (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The canonical SMILES for (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine is c1ccc2c(c1)C[C@@H]1[C@H]2c2ncccc2N[C@@H]1c1ccncc1.
What is the InChIKey of (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The InChIKey is SBKBZHVNXNQAQY-NZSAHSFTSA-N. The full InChI is InChI=1S/C20H17N3/c1-2-5-15-14(4-1)12-16-18(15)20-17(6-3-9-22-20)23-19(16)13-7-10-21-11-8-13/h1-11,16,18-19,23H,12H2/t16-,18+,19-/m1/s1.
What are the key properties of (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
(6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine has a molecular weight of 299.38 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR,11bR)-6-pyridin-4-yl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine is sourced from PubChem (CID 127032409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).