N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F2N5O2 — CID 86766707

IUPACN-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NOCC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1
InChIKeyGPUJXNIEEVLNGE-GOSISDBHSA-N
MW413.43 g/mol
LogP3.42
Rot. Bonds6

About N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86766707) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86766707
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NOCC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1
InChIKeyGPUJXNIEEVLNGE-GOSISDBHSA-N
XLogP3.42
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86766707) is N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NOCC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GPUJXNIEEVLNGE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1.
What are the key properties of N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86766707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).