N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28FN7O — CID 68913117

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CN4CCC3CC4)c2n1
InChIInChI=1S/C24H28FN7O/c1-15-18(11-17(25)12-26-15)21-3-2-7-31(21)22-6-10-32-23(29-22)19(13-27-32)24(33)28-20-14-30-8-4-16(20)5-9-30/h6,10-13,16,20-21H,2-5,7-9,14H2,1H3,(H,28,33)/t20-,21?/m0/s1
InChIKeyJJBJQNUONRHVFX-BGERDNNASA-N
MW449.53 g/mol
LogP2.74
Rot. Bonds4

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68913117) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68913117
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CN4CCC3CC4)c2n1
InChIInChI=1S/C24H28FN7O/c1-15-18(11-17(25)12-26-15)21-3-2-7-31(21)22-6-10-32-23(29-22)19(13-27-32)24(33)28-20-14-30-8-4-16(20)5-9-30/h6,10-13,16,20-21H,2-5,7-9,14H2,1H3,(H,28,33)/t20-,21?/m0/s1
InChIKeyJJBJQNUONRHVFX-BGERDNNASA-N
XLogP2.74
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68913117) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CN4CCC3CC4)c2n1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JJBJQNUONRHVFX-BGERDNNASA-N. The full InChI is InChI=1S/C24H28FN7O/c1-15-18(11-17(25)12-26-15)21-3-2-7-31(21)22-6-10-32-23(29-22)19(13-27-32)24(33)28-20-14-30-8-4-16(20)5-9-30/h6,10-13,16,20-21H,2-5,7-9,14H2,1H3,(H,28,33)/t20-,21?/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68913117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).