4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide

C23H28N8O2 — CID 134436387

IUPAC4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCOc1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C(=O)NCC(C)C)CC3)nc2)n1
InChIInChI=1S/C23H28N8O2/c1-4-33-20-15-31-22(18(11-24)14-27-31)21(28-20)17-5-6-19(25-13-17)29-7-9-30(10-8-29)23(32)26-12-16(2)3/h5-6,13-16H,4,7-10,12H2,1-3H3,(H,26,32)
InChIKeyRWQJAFDHBDGLMP-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.55
Rot. Bonds6

About 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide

4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 134436387) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID134436387
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCOc1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C(=O)NCC(C)C)CC3)nc2)n1
InChIInChI=1S/C23H28N8O2/c1-4-33-20-15-31-22(18(11-24)14-27-31)21(28-20)17-5-6-19(25-13-17)29-7-9-30(10-8-29)23(32)26-12-16(2)3/h5-6,13-16H,4,7-10,12H2,1-3H3,(H,26,32)
InChIKeyRWQJAFDHBDGLMP-UHFFFAOYSA-N
XLogP2.55
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide (CID 134436387) is 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide is CCOc1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C(=O)NCC(C)C)CC3)nc2)n1.
What is the InChIKey of 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is RWQJAFDHBDGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-4-33-20-15-31-22(18(11-24)14-27-31)21(28-20)17-5-6-19(25-13-17)29-7-9-30(10-8-29)23(32)26-12-16(2)3/h5-6,13-16H,4,7-10,12H2,1-3H3,(H,26,32).
What are the key properties of 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyrazin-4-yl)-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 134436387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).