5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide

C22H17ClF2N6O — CID 58386301

IUPAC5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1
InChIInChI=1S/C22H17ClF2N6O/c23-13-3-6-17(26-11-13)22(32)28-18-12-27-31-9-7-20(29-21(18)31)30-8-1-2-19(30)15-10-14(24)4-5-16(15)25/h3-7,9-12,19H,1-2,8H2,(H,28,32)/t19-/m1/s1
InChIKeyIPFJWILEQTTXKZ-LJQANCHMSA-N
MW454.87 g/mol
LogP4.65
Rot. Bonds4

About 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide

5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (PubChem CID 58386301) has the molecular formula C22H17ClF2N6O and a molecular weight of 454.87 g/mol. Its IUPAC name is 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
PubChem CID58386301
Molecular FormulaC22H17ClF2N6O
Molecular Weight454.87 g/mol
Exact Mass454.11
IUPAC Name5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1
InChIInChI=1S/C22H17ClF2N6O/c23-13-3-6-17(26-11-13)22(32)28-18-12-27-31-9-7-20(29-21(18)31)30-8-1-2-19(30)15-10-14(24)4-5-16(15)25/h3-7,9-12,19H,1-2,8H2,(H,28,32)/t19-/m1/s1
InChIKeyIPFJWILEQTTXKZ-LJQANCHMSA-N
XLogP4.65
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (CID 58386301) is 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The InChIKey is IPFJWILEQTTXKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17ClF2N6O/c23-13-3-6-17(26-11-13)22(32)28-18-12-27-31-9-7-20(29-21(18)31)30-8-1-2-19(30)15-10-14(24)4-5-16(15)25/h3-7,9-12,19H,1-2,8H2,(H,28,32)/t19-/m1/s1.
What are the key properties of 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide has a molecular weight of 454.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58386301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).