5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27FN6O3 — CID 67500160

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1
InChIInChI=1S/C23H27FN6O3/c1-33-23-17(11-14(24)12-25-23)19-3-2-9-29(19)20-8-10-30-21(28-20)18(13-26-30)22(32)27-15-4-6-16(31)7-5-15/h8,10-13,15-16,19,31H,2-7,9H2,1H3,(H,27,32)/t15?,16?,19-/m1/s1
InChIKeyWRXZQYJJPXFOIB-LADRWXRNSA-N
MW454.51 g/mol
LogP2.65
Rot. Bonds5

About 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500160) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500160
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1
InChIInChI=1S/C23H27FN6O3/c1-33-23-17(11-14(24)12-25-23)19-3-2-9-29(19)20-8-10-30-21(28-20)18(13-26-30)22(32)27-15-4-6-16(31)7-5-15/h8,10-13,15-16,19,31H,2-7,9H2,1H3,(H,27,32)/t15?,16?,19-/m1/s1
InChIKeyWRXZQYJJPXFOIB-LADRWXRNSA-N
XLogP2.65
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500160) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WRXZQYJJPXFOIB-LADRWXRNSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-33-23-17(11-14(24)12-25-23)19-3-2-9-29(19)20-8-10-30-21(28-20)18(13-26-30)22(32)27-15-4-6-16(31)7-5-15/h8,10-13,15-16,19,31H,2-7,9H2,1H3,(H,27,32)/t15?,16?,19-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).