4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide

C15H16N6O — CID 71061025

IUPAC4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
InChIKeyVWAQJEAWMUVOCA-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.94
Rot. Bonds4

About 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide

4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide (PubChem CID 71061025) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide
PubChem CID71061025
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
InChIKeyVWAQJEAWMUVOCA-UHFFFAOYSA-N
XLogP1.94
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide (CID 71061025) is 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide?
The InChIKey is VWAQJEAWMUVOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20).
What are the key properties of 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide?
4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 71061025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).