5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N5O2 — CID 58063335

IUPAC5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12
InChIInChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)
InChIKeyIJRFYMDEHNCGGT-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.86
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063335) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063335
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12
InChIInChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)
InChIKeyIJRFYMDEHNCGGT-UHFFFAOYSA-N
XLogP2.86
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063335) is 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC(O)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IJRFYMDEHNCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26).
What are the key properties of 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-1-ylamino)-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).