1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone

C26H34N6O — CID 91186564

IUPAC1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone
SMILESCCCC(C)c1[nH]nc2ncc3c(c12)CCN(C(=O)C(c1ccccc1)N1CCNCC1)C3
InChIInChI=1S/C26H34N6O/c1-3-7-18(2)23-22-21-10-13-32(17-20(21)16-28-25(22)30-29-23)26(33)24(19-8-5-4-6-9-19)31-14-11-27-12-15-31/h4-6,8-9,16,18,24,27H,3,7,10-15,17H2,1-2H3,(H,28,29,30)
InChIKeyFAFUBTFDDCPQKU-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.39
Rot. Bonds6

About 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone

1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone (PubChem CID 91186564) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone
PubChem CID91186564
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone
SMILESCCCC(C)c1[nH]nc2ncc3c(c12)CCN(C(=O)C(c1ccccc1)N1CCNCC1)C3
InChIInChI=1S/C26H34N6O/c1-3-7-18(2)23-22-21-10-13-32(17-20(21)16-28-25(22)30-29-23)26(33)24(19-8-5-4-6-9-19)31-14-11-27-12-15-31/h4-6,8-9,16,18,24,27H,3,7,10-15,17H2,1-2H3,(H,28,29,30)
InChIKeyFAFUBTFDDCPQKU-UHFFFAOYSA-N
XLogP3.39
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone with MolForge

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Related Compounds

2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 59490810
2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone
CID 90909155
1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-chloro-2-phenylethanone
CID 59490349
N,N,1-trimethyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 91154935
5-hydroxy-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)pentan-1-one
CID 91366579
N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 46836776
(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 46836698
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2S)-2-methyl-4-phenoxy-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 95904770
1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980013
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-phenyl-2-piperazin-1-ylacetyl fluoride
CID 90420857

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone?
The IUPAC name of 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone (CID 91186564) is 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone is CCCC(C)c1[nH]nc2ncc3c(c12)CCN(C(=O)C(c1ccccc1)N1CCNCC1)C3.
What is the InChIKey of 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone?
The InChIKey is FAFUBTFDDCPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-3-7-18(2)23-22-21-10-13-32(17-20(21)16-28-25(22)30-29-23)26(33)24(19-8-5-4-6-9-19)31-14-11-27-12-15-31/h4-6,8-9,16,18,24,27H,3,7,10-15,17H2,1-2H3,(H,28,29,30).
What are the key properties of 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone?
1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone has a molecular weight of 446.60 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone is sourced from PubChem (CID 91186564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).