N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C23H26N6O3 — CID 59490462

IUPACN-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2CO)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C23H26N6O3/c30-14-18-6-1-2-8-29(18)22(31)15-4-3-5-17(10-15)26-23(32)28-9-7-19-16(13-28)11-24-21-20(19)12-25-27-21/h3-5,10-12,18,30H,1-2,6-9,13-14H2,(H,26,32)(H,24,25,27)
InChIKeyMEAYVXPQJKKLRS-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.54
Rot. Bonds3

About N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490462) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490462
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2CO)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C23H26N6O3/c30-14-18-6-1-2-8-29(18)22(31)15-4-3-5-17(10-15)26-23(32)28-9-7-19-16(13-28)11-24-21-20(19)12-25-27-21/h3-5,10-12,18,30H,1-2,6-9,13-14H2,(H,26,32)(H,24,25,27)
InChIKeyMEAYVXPQJKKLRS-UHFFFAOYSA-N
XLogP2.54
TPSA114.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490771
N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490412
N-[3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490660
N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490831
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490366
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3,4-dichlorophenyl)-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 171679614
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490462) is N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is O=C(Nc1cccc(C(=O)N2CCCCC2CO)c1)N1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is MEAYVXPQJKKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c30-14-18-6-1-2-8-29(18)22(31)15-4-3-5-17(10-15)26-23(32)28-9-7-19-16(13-28)11-24-21-20(19)12-25-27-21/h3-5,10-12,18,30H,1-2,6-9,13-14H2,(H,26,32)(H,24,25,27).
What are the key properties of N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).