[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate

C20H20FN7O2 — CID 126597512

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC4(C)CC(N)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O2/c1-20(6-11(22)7-20)26-19(29)30-15-9-24-18-17(15)25-13(8-23-18)16-12-4-3-10(21)5-14(12)28(2)27-16/h3-5,8-9,11H,6-7,22H2,1-2H3,(H,23,24)(H,26,29)
InChIKeyPEOCBGNJRRYSFC-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.62
Rot. Bonds3

About [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate (PubChem CID 126597512) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate
PubChem CID126597512
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC4(C)CC(N)C4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C20H20FN7O2/c1-20(6-11(22)7-20)26-19(29)30-15-9-24-18-17(15)25-13(8-23-18)16-12-4-3-10(21)5-14(12)28(2)27-16/h3-5,8-9,11H,6-7,22H2,1-2H3,(H,23,24)(H,26,29)
InChIKeyPEOCBGNJRRYSFC-UHFFFAOYSA-N
XLogP2.62
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}-N-[(1R)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 118565171
[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl] N-methylcarbamate
CID 21049465
[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl] methyl carbonate
CID 21049466
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-methoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 21049490
Tert-butyl 4-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]oxypiperidine-1-carboxylate
CID 21049493
tert-butyl N-[4-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]oxycyclohexyl]carbamate
CID 21049494
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-6-methoxy-7-methyl-7,9-dihydro-8H-purin-8-one
CID 66614333
[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-5-fluoro-1H-benzimidazol-4-yl] N-(pyridin-4-ylmethyl)carbamate
CID 66897814
[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl] methyl carbonate
CID 67120329
[2-(3-chloro-5-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
CID 67372554
N-[1-[(5-fluorocyclohexa-2,4-dien-1-yl)methyl]indazol-5-yl]-5-methoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 70849412
[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-(1H-benzimidazol-2-yl)carbamate
CID 87445732

Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate (CID 126597512) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate.
What is the SMILES notation for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate is Cn1nc(-c2cnc3[nH]cc(OC(=O)NC4(C)CC(N)C4)c3n2)c2ccc(F)cc21.
What is the InChIKey of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate?
The InChIKey is PEOCBGNJRRYSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-20(6-11(22)7-20)26-19(29)30-15-9-24-18-17(15)25-13(8-23-18)16-12-4-3-10(21)5-14(12)28(2)27-16/h3-5,8-9,11H,6-7,22H2,1-2H3,(H,23,24)(H,26,29).
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate has a molecular weight of 409.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-amino-1-methylcyclobutyl)carbamate is sourced from PubChem (CID 126597512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).