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

C16H18N6O — CID 71060982

IUPAC6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C16H18N6O/c1-9(2)19-14-12-6-10(11-7-18-22(3)8-11)4-5-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20)
InChIKeyFSXIGPMPCSBZDX-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.95
Rot. Bonds4

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

6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (PubChem CID 71060982) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
PubChem CID71060982
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C16H18N6O/c1-9(2)19-14-12-6-10(11-7-18-22(3)8-11)4-5-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20)
InChIKeyFSXIGPMPCSBZDX-UHFFFAOYSA-N
XLogP1.95
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide (CID 71060982) is 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2ccc(-c3cnn(C)c3)cc12.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
The InChIKey is FSXIGPMPCSBZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9(2)19-14-12-6-10(11-7-18-22(3)8-11)4-5-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20).
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide?
6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)cinnoline-3-carboxamide is sourced from PubChem (CID 71060982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).