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

C23H26N6O3 — CID 59490771

IUPACN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(CO)C2)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C23H26N6O3/c30-14-15-3-2-7-28(12-15)22(31)16-4-1-5-18(9-16)26-23(32)29-8-6-19-17(13-29)10-24-21-20(19)11-25-27-21/h1,4-5,9-11,15,30H,2-3,6-8,12-14H2,(H,26,32)(H,24,25,27)
InChIKeyRCSWGCNXFDGEDE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.39
Rot. Bonds3

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

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490771) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490771
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC(CO)C2)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C23H26N6O3/c30-14-15-3-2-7-28(12-15)22(31)16-4-1-5-18(9-16)26-23(32)29-8-6-19-17(13-29)10-24-21-20(19)11-25-27-21/h1,4-5,9-11,15,30H,2-3,6-8,12-14H2,(H,26,32)(H,24,25,27)
InChIKeyRCSWGCNXFDGEDE-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490462
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-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490412
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490366
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-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[3-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 97260286
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 154850019
[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
CID 111777991
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
(1S)-N-[3-[(3R)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 97260282
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490771) is N-[3-[3-(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-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC(CO)C2)c1)N1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is RCSWGCNXFDGEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c30-14-15-3-2-7-28(12-15)22(31)16-4-1-5-18(9-16)26-23(32)29-8-6-19-17(13-29)10-24-21-20(19)11-25-27-21/h1,4-5,9-11,15,30H,2-3,6-8,12-14H2,(H,26,32)(H,24,25,27).
What are the key properties of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-[3-[3-(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 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).