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

C23H23FN8O2 — CID 67502497

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(C4CC4)[nH]n3)c2n1
InChIInChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/m1/s1
InChIKeyHRXHRVGEOCMYJD-GOSISDBHSA-N
MW462.49 g/mol
LogP3.47
Rot. Bonds6

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67502497) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67502497
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(C4CC4)[nH]n3)c2n1
InChIInChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/m1/s1
InChIKeyHRXHRVGEOCMYJD-GOSISDBHSA-N
XLogP3.47
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67502497) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(C4CC4)[nH]n3)c2n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HRXHRVGEOCMYJD-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67502497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).