1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid

C25H28N6O5 — CID 121408209

IUPAC1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid
SMILESCOC1CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2C(C)=O)CC1.O=C(O)O
InChIInChI=1S/C24H26N6O2.CH2O3/c1-15(31)21-22(16-8-10-19(32-2)11-9-16)28-24-20(13-27-30(24)23(21)25)17-12-26-29(14-17)18-6-4-3-5-7-18;2-1(3)4/h3-7,12-14,16,19H,8-11,25H2,1-2H3;(H2,2,3,4)
InChIKeyGLIWXYQGZFKQKM-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.26
Rot. Bonds5

About 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid

1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid (PubChem CID 121408209) has the molecular formula C25H28N6O5 and a molecular weight of 492.54 g/mol. Its IUPAC name is 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid.

Molecular Properties

Compound Name1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid
PubChem CID121408209
Molecular FormulaC25H28N6O5
Molecular Weight492.54 g/mol
Exact Mass492.21
IUPAC Name1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid
SMILESCOC1CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2C(C)=O)CC1.O=C(O)O
InChIInChI=1S/C24H26N6O2.CH2O3/c1-15(31)21-22(16-8-10-19(32-2)11-9-16)28-24-20(13-27-30(24)23(21)25)17-12-26-29(14-17)18-6-4-3-5-7-18;2-1(3)4/h3-7,12-14,16,19H,8-11,25H2,1-2H3;(H2,2,3,4)
InChIKeyGLIWXYQGZFKQKM-UHFFFAOYSA-N
XLogP4.26
TPSA157.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid?
The IUPAC name of 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid (CID 121408209) is 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid.
What is the SMILES notation for 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid?
The canonical SMILES for 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid is COC1CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2C(C)=O)CC1.O=C(O)O.
What is the InChIKey of 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid?
The InChIKey is GLIWXYQGZFKQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.CH2O3/c1-15(31)21-22(16-8-10-19(32-2)11-9-16)28-24-20(13-27-30(24)23(21)25)17-12-26-29(14-17)18-6-4-3-5-7-18;2-1(3)4/h3-7,12-14,16,19H,8-11,25H2,1-2H3;(H2,2,3,4).
What are the key properties of 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid?
1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid has a molecular weight of 492.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid is sourced from PubChem (CID 121408209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).