N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine

C19H28F2N4O2 — CID 142065897

IUPACN-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine
SMILESCC(C)(c1cc2cnccc2o1)N1CCNCC1.CC(CF)(CF)NC=O
InChIInChI=1S/C14H19N3O.C5H9F2NO/c1-14(2,17-7-5-15-6-8-17)13-9-11-10-16-4-3-12(11)18-13;1-5(2-6,3-7)8-4-9/h3-4,9-10,15H,5-8H2,1-2H3;4H,2-3H2,1H3,(H,8,9)
InChIKeySSTGHGQMYNFVFQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.40
Rot. Bonds6

About N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine

N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine (PubChem CID 142065897) has the molecular formula C19H28F2N4O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine.

Molecular Properties

Compound NameN-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine
PubChem CID142065897
Molecular FormulaC19H28F2N4O2
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC NameN-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine
SMILESCC(C)(c1cc2cnccc2o1)N1CCNCC1.CC(CF)(CF)NC=O
InChIInChI=1S/C14H19N3O.C5H9F2NO/c1-14(2,17-7-5-15-6-8-17)13-9-11-10-16-4-3-12(11)18-13;1-5(2-6,3-7)8-4-9/h3-4,9-10,15H,5-8H2,1-2H3;4H,2-3H2,1H3,(H,8,9)
InChIKeySSTGHGQMYNFVFQ-UHFFFAOYSA-N
XLogP2.40
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-benzyl-5-[4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazin-1-yl]-4-hydroxypentanamide;2,3-dihydro-1H-indene;N-(2-fluoroethyl)formamide
CID 142065841
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599190
4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065869
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-N-[3-fluoro-2,2-bis(fluoromethyl)propyl]-4-(2-furo[3,2-c]pyridin-2-ylpropan-2-yl)piperazine-2-carboxamide
CID 10123231
acetylene;3,4-dihydro-2H-chromene;2-(furo[3,2-c]pyridin-2-ylmethyl)-4-hydroxy-5-piperazin-1-ylpentanamide;N-(2,2,2-trifluoroethyl)formamide
CID 142189582
N-(3-methyl-3-piperazin-1-ylbutyl)pyridin-4-amine
CID 115255549
5-(5-methoxy-3-pyridinyl)-4-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065667
4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid
CID 69325150
4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid
CID 141186127
furo[3,2-c]pyridine-2-thiol
CID 123607064
3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol
CID 154842269
2-(2-piperazin-1-ylpropan-2-yl)-5-(5-propyl-3-pyridinyl)-1,3-oxazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065690

Frequently Asked Questions

What is the IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine?
The IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine (CID 142065897) is N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine.
What is the SMILES notation for N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine?
The canonical SMILES for N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine is CC(C)(c1cc2cnccc2o1)N1CCNCC1.CC(CF)(CF)NC=O.
What is the InChIKey of N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine?
The InChIKey is SSTGHGQMYNFVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.C5H9F2NO/c1-14(2,17-7-5-15-6-8-17)13-9-11-10-16-4-3-12(11)18-13;1-5(2-6,3-7)8-4-9/h3-4,9-10,15H,5-8H2,1-2H3;4H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine?
N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine has a molecular weight of 382.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-difluoro-2-methylpropan-2-yl)formamide;2-(2-piperazin-1-ylpropan-2-yl)furo[3,2-c]pyridine is sourced from PubChem (CID 142065897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).