N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

C25H26FN7O2 — CID 171572801

IUPACN-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(F)c3c(c2)[nH]c(=O)c2ccnn23)CC1
InChIInChI=1S/C25H26FN7O2/c1-15-21(5-4-19(28-15)24(34)29-17-2-3-17)32-10-8-31(9-11-32)14-16-12-18(26)23-20(13-16)30-25(35)22-6-7-27-33(22)23/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H,29,34)(H,30,35)
InChIKeyXNBMYYZRFCMWNJ-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.23
Rot. Bonds5

About N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 171572801) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID171572801
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC NameN-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(F)c3c(c2)[nH]c(=O)c2ccnn23)CC1
InChIInChI=1S/C25H26FN7O2/c1-15-21(5-4-19(28-15)24(34)29-17-2-3-17)32-10-8-31(9-11-32)14-16-12-18(26)23-20(13-16)30-25(35)22-6-7-27-33(22)23/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H,29,34)(H,30,35)
InChIKeyXNBMYYZRFCMWNJ-UHFFFAOYSA-N
XLogP2.23
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572861
6-chloro-5-[4-[(9-fluoro-3-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572891
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 175473204
N-ethyl-5-[4-[(5-fluoro-3-methyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
CID 169102626
N,6-dimethyl-5-[4-[(6-oxo-7,9-dihydro-5H-furo[3,4-c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572872
5-[4-[(3-ethyl-2-oxo-4-sulfanylidene-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-6-methyl-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 170981194
N-cyclopropyl-6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110805
6-fluoro-N-methyl-5-[4-[(6-methyl-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171572839
6-fluoro-5-[4-[(9-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572859
6-chloro-5-[4-[(9-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171572846
N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069
N,6-dimethyl-5-[4-[(2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 172560176

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (CID 171572801) is N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(F)c3c(c2)[nH]c(=O)c2ccnn23)CC1.
What is the InChIKey of N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is XNBMYYZRFCMWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-15-21(5-4-19(28-15)24(34)29-17-2-3-17)32-10-8-31(9-11-32)14-16-12-18(26)23-20(13-16)30-25(35)22-6-7-27-33(22)23/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-[(9-fluoro-4-oxo-5H-pyrazolo[1,5-a]quinoxalin-7-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 171572801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).