N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide

C21H29N5O2 — CID 72856631

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)cc1=O
InChIInChI=1S/C21H29N5O2/c1-2-24-9-8-16(12-20(24)27)21(28)22-14-17-13-19-15-25(10-11-26(19)23-17)18-6-4-3-5-7-18/h8-9,12-13,18H,2-7,10-11,14-15H2,1H3,(H,22,28)
InChIKeySHAVJTNPHZSNBD-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.14
Rot. Bonds5

About N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide (PubChem CID 72856631) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide
PubChem CID72856631
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)cc1=O
InChIInChI=1S/C21H29N5O2/c1-2-24-9-8-16(12-20(24)27)21(28)22-14-17-13-19-15-25(10-11-26(19)23-17)18-6-4-3-5-7-18/h8-9,12-13,18H,2-7,10-11,14-15H2,1H3,(H,22,28)
InChIKeySHAVJTNPHZSNBD-UHFFFAOYSA-N
XLogP2.14
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide (CID 72856631) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide is CCn1ccc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)cc1=O.
What is the InChIKey of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The InChIKey is SHAVJTNPHZSNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-24-9-8-16(12-20(24)27)21(28)22-14-17-13-19-15-25(10-11-26(19)23-17)18-6-4-3-5-7-18/h8-9,12-13,18H,2-7,10-11,14-15H2,1H3,(H,22,28).
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-ethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 72856631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).