N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H18F5N7O — CID 168773337

IUPACN-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCC(F)F)c1cnn2ccc(-c3c[nH]c4nc(NCC5(C(F)(F)F)CC5)ncc34)cc12
InChIInChI=1S/C21H18F5N7O/c22-16(23)9-28-18(34)14-8-31-33-4-1-11(5-15(14)33)12-6-27-17-13(12)7-29-19(32-17)30-10-20(2-3-20)21(24,25)26/h1,4-8,16H,2-3,9-10H2,(H,28,34)(H2,27,29,30,32)
InChIKeyASBXWVCMVWGUEJ-UHFFFAOYSA-N
MW479.41 g/mol
LogP4.02
Rot. Bonds7

About N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168773337) has the molecular formula C21H18F5N7O and a molecular weight of 479.41 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID168773337
Molecular FormulaC21H18F5N7O
Molecular Weight479.41 g/mol
Exact Mass479.15
IUPAC NameN-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCC(F)F)c1cnn2ccc(-c3c[nH]c4nc(NCC5(C(F)(F)F)CC5)ncc34)cc12
InChIInChI=1S/C21H18F5N7O/c22-16(23)9-28-18(34)14-8-31-33-4-1-11(5-15(14)33)12-6-27-17-13(12)7-29-19(32-17)30-10-20(2-3-20)21(24,25)26/h1,4-8,16H,2-3,9-10H2,(H,28,34)(H2,27,29,30,32)
InChIKeyASBXWVCMVWGUEJ-UHFFFAOYSA-N
XLogP4.02
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 168773337) is N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCC(F)F)c1cnn2ccc(-c3c[nH]c4nc(NCC5(C(F)(F)F)CC5)ncc34)cc12.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ASBXWVCMVWGUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N7O/c22-16(23)9-28-18(34)14-8-31-33-4-1-11(5-15(14)33)12-6-27-17-13(12)7-29-19(32-17)30-10-20(2-3-20)21(24,25)26/h1,4-8,16H,2-3,9-10H2,(H,28,34)(H2,27,29,30,32).
What are the key properties of N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 479.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).