N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C25H26FN5O3 — CID 164605981

IUPACN-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OC[C@@H](c2ccccc2F)N(C)C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C25H26FN5O3/c1-15-23(17-10-11-31-18(12-17)13-22(28-31)27-24(32)16-8-9-16)25(29-34-15)33-14-21(30(2)3)19-6-4-5-7-20(19)26/h4-7,10-13,16,21H,8-9,14H2,1-3H3,(H,27,28,32)/t21-/m0/s1
InChIKeyMUXFBNQYNRIOKY-NRFANRHFSA-N
MW463.51 g/mol
LogP4.47
Rot. Bonds8

About N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605981) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605981
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC NameN-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(OC[C@@H](c2ccccc2F)N(C)C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C25H26FN5O3/c1-15-23(17-10-11-31-18(12-17)13-22(28-31)27-24(32)16-8-9-16)25(29-34-15)33-14-21(30(2)3)19-6-4-5-7-20(19)26/h4-7,10-13,16,21H,8-9,14H2,1-3H3,(H,27,28,32)/t21-/m0/s1
InChIKeyMUXFBNQYNRIOKY-NRFANRHFSA-N
XLogP4.47
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605981) is N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1onc(OC[C@@H](c2ccccc2F)N(C)C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MUXFBNQYNRIOKY-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-15-23(17-10-11-31-18(12-17)13-22(28-31)27-24(32)16-8-9-16)25(29-34-15)33-14-21(30(2)3)19-6-4-5-7-20(19)26/h4-7,10-13,16,21H,8-9,14H2,1-3H3,(H,27,28,32)/t21-/m0/s1.
What are the key properties of N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 463.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)ethoxy]-5-methyl-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).