N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C23H29FN6O4 — CID 54695594

IUPACN-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)C(=O)CN(C(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2)C1CCNCC1
InChIInChI=1S/C23H29FN6O4/c1-27(2)18(31)14-29(17-7-9-25-10-8-17)22(33)19-21(32)20-23(34)28(11-12-30(20)26-19)13-15-3-5-16(24)6-4-15/h3-6,17,25,32H,7-14H2,1-2H3
InChIKeyCBMKFVCAHHRHQX-UHFFFAOYSA-N
MW472.52 g/mol
LogP0.67
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 54695594) has the molecular formula C23H29FN6O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID54695594
Molecular FormulaC23H29FN6O4
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)C(=O)CN(C(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2)C1CCNCC1
InChIInChI=1S/C23H29FN6O4/c1-27(2)18(31)14-29(17-7-9-25-10-8-17)22(33)19-21(32)20-23(34)28(11-12-30(20)26-19)13-15-3-5-16(24)6-4-15/h3-6,17,25,32H,7-14H2,1-2H3
InChIKeyCBMKFVCAHHRHQX-UHFFFAOYSA-N
XLogP0.67
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 54695594) is N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CN(C)C(=O)CN(C(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CC2)C1CCNCC1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is CBMKFVCAHHRHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O4/c1-27(2)18(31)14-29(17-7-9-25-10-8-17)22(33)19-21(32)20-23(34)28(11-12-30(20)26-19)13-15-3-5-16(24)6-4-15/h3-6,17,25,32H,7-14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 54695594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).