(3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

C20H19FN4O2 — CID 141415791

IUPAC(3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
SMILESO=C(Nc1cnc2[nH]cc(C3=CCNCC3)c2c1)OCc1cccc(F)c1
InChIInChI=1S/C20H19FN4O2/c21-15-3-1-2-13(8-15)12-27-20(26)25-16-9-17-18(11-24-19(17)23-10-16)14-4-6-22-7-5-14/h1-4,8-11,22H,5-7,12H2,(H,23,24)(H,25,26)
InChIKeyNAAKEGVZJGGAQM-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.83
Rot. Bonds4

About (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

(3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate (PubChem CID 141415791) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
PubChem CID141415791
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
SMILESO=C(Nc1cnc2[nH]cc(C3=CCNCC3)c2c1)OCc1cccc(F)c1
InChIInChI=1S/C20H19FN4O2/c21-15-3-1-2-13(8-15)12-27-20(26)25-16-9-17-18(11-24-19(17)23-10-16)14-4-6-22-7-5-14/h1-4,8-11,22H,5-7,12H2,(H,23,24)(H,25,26)
InChIKeyNAAKEGVZJGGAQM-UHFFFAOYSA-N
XLogP3.83
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyanophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 161144076
benzyl N-[3-[1-(3-oxopent-1-en-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 163953018
[5-[5-(phenylmethoxycarbonylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,4-dihydro-2H-pyridin-1-yl] 2,2-dimethylpropanoate
CID 174778767
(3-fluorophenyl)methyl 2-[3-[3-(2,3-dioxobutyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate
CID 159244057
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44634149
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
benzyl N-[3-(3-hydroxyazetidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;tert-butyl formate
CID 174778758
benzyl N-[3-(1-prop-2-enoylazetidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 134445682
N-[3-[[7-(1,2,3,6-tetrahydropyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]phenyl]prop-2-enamide
CID 118641778
methyl N-(3-fluorophenyl)-N-[3-[1-(2-oxobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 122553728
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The IUPAC name of (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate (CID 141415791) is (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate.
What is the SMILES notation for (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The canonical SMILES for (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate is O=C(Nc1cnc2[nH]cc(C3=CCNCC3)c2c1)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The InChIKey is NAAKEGVZJGGAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-3-1-2-13(8-15)12-27-20(26)25-16-9-17-18(11-24-19(17)23-10-16)14-4-6-22-7-5-14/h1-4,8-11,22H,5-7,12H2,(H,23,24)(H,25,26).
What are the key properties of (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
(3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate has a molecular weight of 366.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 141415791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).