1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid

C21H23N5O2 — CID 56656160

IUPAC1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(NC3CC3)c3cc(C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C21H23N5O2/c27-20(28)15-11-22-26(12-15)21-24-18-9-6-14(13-4-2-1-3-5-13)10-17(18)19(25-21)23-16-7-8-16/h6,9-13,16H,1-5,7-8H2,(H,27,28)(H,23,24,25)
InChIKeyDJAHWNYCCQEPER-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.14
Rot. Bonds5

About 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid

1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 56656160) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid
PubChem CID56656160
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(NC3CC3)c3cc(C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C21H23N5O2/c27-20(28)15-11-22-26(12-15)21-24-18-9-6-14(13-4-2-1-3-5-13)10-17(18)19(25-21)23-16-7-8-16/h6,9-13,16H,1-5,7-8H2,(H,27,28)(H,23,24,25)
InChIKeyDJAHWNYCCQEPER-UHFFFAOYSA-N
XLogP4.14
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid (CID 56656160) is 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc(NC3CC3)c3cc(C4CCCCC4)ccc3n2)c1.
What is the InChIKey of 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is DJAHWNYCCQEPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20(28)15-11-22-26(12-15)21-24-18-9-6-14(13-4-2-1-3-5-13)10-17(18)19(25-21)23-16-7-8-16/h6,9-13,16H,1-5,7-8H2,(H,27,28)(H,23,24,25).
What are the key properties of 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid?
1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 377.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclohexyl-4-(cyclopropylamino)quinazolin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 56656160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).