5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28N6O4 — CID 11465148

IUPAC5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(Nc2nn3c(N4CCC[C@@H]4CO)cc(C4CC4)nc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H28N6O4/c1-32-16-8-14(9-17(10-16)33-2)25-22-20(21(24)31)23-26-18(13-5-6-13)11-19(29(23)27-22)28-7-3-4-15(28)12-30/h8-11,13,15,30H,3-7,12H2,1-2H3,(H2,24,31)(H,25,27)/t15-/m1/s1
InChIKeySPKVOXGQOYXCDA-OAHLLOKOSA-N
MW452.52 g/mol
LogP2.43
Rot. Bonds8

About 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11465148) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11465148
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(Nc2nn3c(N4CCC[C@@H]4CO)cc(C4CC4)nc3c2C(N)=O)cc(OC)c1
InChIInChI=1S/C23H28N6O4/c1-32-16-8-14(9-17(10-16)33-2)25-22-20(21(24)31)23-26-18(13-5-6-13)11-19(29(23)27-22)28-7-3-4-15(28)12-30/h8-11,13,15,30H,3-7,12H2,1-2H3,(H2,24,31)(H,25,27)/t15-/m1/s1
InChIKeySPKVOXGQOYXCDA-OAHLLOKOSA-N
XLogP2.43
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11465148) is 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(Nc2nn3c(N4CCC[C@@H]4CO)cc(C4CC4)nc3c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPKVOXGQOYXCDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-32-16-8-14(9-17(10-16)33-2)25-22-20(21(24)31)23-26-18(13-5-6-13)11-19(29(23)27-22)28-7-3-4-15(28)12-30/h8-11,13,15,30H,3-7,12H2,1-2H3,(H2,24,31)(H,25,27)/t15-/m1/s1.
What are the key properties of 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(3,5-dimethoxyanilino)-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11465148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).