N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen

C17H22F2N6O — CID 158835800

IUPACN-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(NCCF)C1(Nc2ccnc(-c3c[nH]c4ncc(F)cc34)n2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H16F2N6O.3H2/c18-4-6-21-16(26)17(2-3-17)25-13-1-5-20-15(24-13)12-9-23-14-11(12)7-10(19)8-22-14;;;/h1,5,7-9H,2-4,6H2,(H,21,26)(H,22,23)(H,20,24,25);3*1H
InChIKeyIXPSVVJOYMNLAV-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.93
Rot. Bonds6

About N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen

N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158835800) has the molecular formula C17H22F2N6O and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158835800
Molecular FormulaC17H22F2N6O
Molecular Weight364.40 g/mol
Exact Mass364.18
IUPAC NameN-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(NCCF)C1(Nc2ccnc(-c3c[nH]c4ncc(F)cc34)n2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H16F2N6O.3H2/c18-4-6-21-16(26)17(2-3-17)25-13-1-5-20-15(24-13)12-9-23-14-11(12)7-10(19)8-22-14;;;/h1,5,7-9H,2-4,6H2,(H,21,26)(H,22,23)(H,20,24,25);3*1H
InChIKeyIXPSVVJOYMNLAV-UHFFFAOYSA-N
XLogP2.93
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide;(2R)-N-ethyl-2-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylbutanamide;1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158493918
(2R)-N-(2,2-difluoroethyl)-2-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]propanamide
CID 59422376
N-(2-fluoroethyl)-3-[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-2,2-dimethylpropanamide;molecular hydrogen
CID 159838445
1-cyclopropylsulfonyl-4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134224972
N-(2-fluoroethyl)-2-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylbutanamide
CID 71533382
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2,2-difluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2-fluoroethyl)-2-methylbutanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)butanamide;N-ethyl-1-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen
CID 158305282
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide;(4S)-3-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2-fluoroethyl)-2-methylpropanamide;3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide;molecular hydrogen
CID 158274138
1-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 59422236
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;N-ethyl-2-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;molecular hydrogen
CID 157205710
3-[[6-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 129228683
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide
CID 118000512
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen (CID 158835800) is N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen is O=C(NCCF)C1(Nc2ccnc(-c3c[nH]c4ncc(F)cc34)n2)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is IXPSVVJOYMNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O.3H2/c18-4-6-21-16(26)17(2-3-17)25-13-1-5-20-15(24-13)12-9-23-14-11(12)7-10(19)8-22-14;;;/h1,5,7-9H,2-4,6H2,(H,21,26)(H,22,23)(H,20,24,25);3*1H.
What are the key properties of N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen?
N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 364.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158835800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).