tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate

C20H25N5O2 — CID 123956691

IUPACtert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccn(C)c2cc1-c1ccnc(N)c1
InChIInChI=1S/C20H25N5O2/c1-12(23-19(26)27-20(2,3)4)18-14(13-6-8-22-17(21)10-13)11-16-15(24-18)7-9-25(16)5/h6-12H,1-5H3,(H2,21,22)(H,23,26)
InChIKeyDZUIWOUMKLGWKP-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate

tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate (PubChem CID 123956691) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
PubChem CID123956691
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Nametert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccn(C)c2cc1-c1ccnc(N)c1
InChIInChI=1S/C20H25N5O2/c1-12(23-19(26)27-20(2,3)4)18-14(13-6-8-22-17(21)10-13)11-16-15(24-18)7-9-25(16)5/h6-12H,1-5H3,(H2,21,22)(H,23,26)
InChIKeyDZUIWOUMKLGWKP-UHFFFAOYSA-N
XLogP3.80
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 123780941
tert-butyl N-[(1S)-1-[6-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 118214745
tert-butyl N-[(1S)-1-[6-[3-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 118214741
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine
CID 161269157
tert-butyl N-[(2R)-1-[4-(2-amino-4-pyridinyl)-3-methylanilino]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 178001640
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
tert-butyl N-[(2S)-1-[4-(2-amino-4-pyridinyl)-2-fluorophenoxy]-4-methylpentan-2-yl]carbamate
CID 140845652
3-[1-methyl-5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]pyrrolo[3,2-b]pyridin-6-yl]-2,5-dihydropyrrole-1-carboxylic acid
CID 118207765
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
tert-butyl N-[(1S)-1-[3-(2-chloro-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 162768021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate (CID 123956691) is tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1nc2ccn(C)c2cc1-c1ccnc(N)c1.
What is the InChIKey of tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
The InChIKey is DZUIWOUMKLGWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12(23-19(26)27-20(2,3)4)18-14(13-6-8-22-17(21)10-13)11-16-15(24-18)7-9-25(16)5/h6-12H,1-5H3,(H2,21,22)(H,23,26).
What are the key properties of tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate?
tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-(2-amino-4-pyridinyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate is sourced from PubChem (CID 123956691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).