N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide

C20H16F2N8O — CID 168773049

IUPACN-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cc(-c2ncnc3[nH]cc(-c4ccc5ncc(C(=O)NCC(F)F)n5c4)c23)cn1
InChIInChI=1S/C20H16F2N8O/c1-29-8-12(4-28-29)18-17-13(5-24-19(17)27-10-26-18)11-2-3-16-23-6-14(30(16)9-11)20(31)25-7-15(21)22/h2-6,8-10,15H,7H2,1H3,(H,25,31)(H,24,26,27)
InChIKeyDJUMCVJGOCVCRG-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.67
Rot. Bonds5

About N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 168773049) has the molecular formula C20H16F2N8O and a molecular weight of 422.40 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID168773049
Molecular FormulaC20H16F2N8O
Molecular Weight422.40 g/mol
Exact Mass422.14
IUPAC NameN-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cc(-c2ncnc3[nH]cc(-c4ccc5ncc(C(=O)NCC(F)F)n5c4)c23)cn1
InChIInChI=1S/C20H16F2N8O/c1-29-8-12(4-28-29)18-17-13(5-24-19(17)27-10-26-18)11-2-3-16-23-6-14(30(16)9-11)20(31)25-7-15(21)22/h2-6,8-10,15H,7H2,1H3,(H,25,31)(H,24,26,27)
InChIKeyDJUMCVJGOCVCRG-UHFFFAOYSA-N
XLogP2.67
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
CID 168772951
N-(2,2-difluoroethyl)-6-[2-[3-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773740
N-(2,2-difluoroethyl)-6-(2-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 168773021
N-(2,2-difluoroethyl)-6-[2-[[4-(trifluoromethoxy)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773207
2-methyl-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-1,3-benzothiazole
CID 168774160
3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine
CID 168773734
4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706837
N-(2,2-difluoroethyl)-3-methyltriazole-4-carboxamide
CID 130660783
6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 170957612
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126751963
N-(2-hydroxypropyl)-6-[1-(6-methyl-2-pyridinyl)-4-propan-2-ylpyrazol-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169074336
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094779

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 168773049) is N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cn1cc(-c2ncnc3[nH]cc(-c4ccc5ncc(C(=O)NCC(F)F)n5c4)c23)cn1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DJUMCVJGOCVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N8O/c1-29-8-12(4-28-29)18-17-13(5-24-19(17)27-10-26-18)11-2-3-16-23-6-14(30(16)9-11)20(31)25-7-15(21)22/h2-6,8-10,15H,7H2,1H3,(H,25,31)(H,24,26,27).
What are the key properties of N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 422.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).