2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H25N5O2 — CID 118789966

IUPAC2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2n1
InChIInChI=1S/C18H25N5O2/c1-11-8-12(2)23-17(19-11)16(13(3)21-23)18(24)20-14-9-25-10-15(14)22-6-4-5-7-22/h8,14-15H,4-7,9-10H2,1-3H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyUIFADOJIWTWDPS-GJZGRUSLSA-N
MW343.43 g/mol
LogP1.25
Rot. Bonds3

About 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118789966) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID118789966
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2n1
InChIInChI=1S/C18H25N5O2/c1-11-8-12(2)23-17(19-11)16(13(3)21-23)18(24)20-14-9-25-10-15(14)22-6-4-5-7-22/h8,14-15H,4-7,9-10H2,1-3H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyUIFADOJIWTWDPS-GJZGRUSLSA-N
XLogP1.25
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118789966) is 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2n1.
What is the InChIKey of 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UIFADOJIWTWDPS-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-8-12(2)23-17(19-11)16(13(3)21-23)18(24)20-14-9-25-10-15(14)22-6-4-5-7-22/h8,14-15H,4-7,9-10H2,1-3H3,(H,20,24)/t14-,15-/m0/s1.
What are the key properties of 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118789966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).