N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

C22H26N6O3 — CID 59490831

IUPACN-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESC[C@@H](CO)CCNC(=O)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C22H26N6O3/c1-14(13-29)5-7-23-21(30)15-3-2-4-17(9-15)26-22(31)28-8-6-18-16(12-28)10-24-20-19(18)11-25-27-20/h2-4,9-11,14,29H,5-8,12-13H2,1H3,(H,23,30)(H,26,31)(H,24,25,27)/t14-/m1/s1
InChIKeyWPSBBPVOOSFJHO-CQSZACIVSA-N
MW422.49 g/mol
LogP2.30
Rot. Bonds6

About N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide

N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (PubChem CID 59490831) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
PubChem CID59490831
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
SMILESC[C@@H](CO)CCNC(=O)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C22H26N6O3/c1-14(13-29)5-7-23-21(30)15-3-2-4-17(9-15)26-22(31)28-8-6-18-16(12-28)10-24-20-19(18)11-25-27-20/h2-4,9-11,14,29H,5-8,12-13H2,1H3,(H,23,30)(H,26,31)(H,24,25,27)/t14-/m1/s1
InChIKeyWPSBBPVOOSFJHO-CQSZACIVSA-N
XLogP2.30
TPSA123.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The IUPAC name of N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide (CID 59490831) is N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide.
What is the SMILES notation for N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The canonical SMILES for N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is C[C@@H](CO)CCNC(=O)c1cccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.
What is the InChIKey of N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
The InChIKey is WPSBBPVOOSFJHO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14(13-29)5-7-23-21(30)15-3-2-4-17(9-15)26-22(31)28-8-6-18-16(12-28)10-24-20-19(18)11-25-27-20/h2-4,9-11,14,29H,5-8,12-13H2,1H3,(H,23,30)(H,26,31)(H,24,25,27)/t14-/m1/s1.
What are the key properties of N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide?
N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R)-4-hydroxy-3-methylbutyl]carbamoyl]phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide is sourced from PubChem (CID 59490831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).