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

C19H18FN7O2 — CID 126597511

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC4(CN)CC4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H18FN7O2/c1-27-13-6-10(20)2-3-11(13)15(26-27)12-7-22-17-16(24-12)14(8-23-17)29-18(28)25-19(9-21)4-5-19/h2-3,6-8H,4-5,9,21H2,1H3,(H,22,23)(H,25,28)
InChIKeyGNAXOIBSTGGYBW-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.23
Rot. Bonds4

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

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate (PubChem CID 126597511) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate
PubChem CID126597511
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC4(CN)CC4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H18FN7O2/c1-27-13-6-10(20)2-3-11(13)15(26-27)12-7-22-17-16(24-12)14(8-23-17)29-18(28)25-19(9-21)4-5-19/h2-3,6-8H,4-5,9,21H2,1H3,(H,22,23)(H,25,28)
InChIKeyGNAXOIBSTGGYBW-UHFFFAOYSA-N
XLogP2.23
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 21049465
CID 21049465
CID 21049466
CID 21049466
CID 21049490
CID 21049490
CID 21049493
CID 21049493
CID 21049494
CID 21049494
CID 66614333
CID 66614333
CID 66897814
CID 66897814
CID 67120329
CID 67120329
CID 67372554
CID 67372554
CID 68418099
CID 68418099
CID 70849412
CID 70849412
CID 87445732
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-[1-(aminomethyl)cyclopropyl]carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate (CID 126597511) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate.
What is the SMILES notation for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate is Cn1nc(-c2cnc3[nH]cc(OC(=O)NC4(CN)CC4)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-[1-(aminomethyl)cyclopropyl]carbamate?
The InChIKey is GNAXOIBSTGGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-27-13-6-10(20)2-3-11(13)15(26-27)12-7-22-17-16(24-12)14(8-23-17)29-18(28)25-19(9-21)4-5-19/h2-3,6-8H,4-5,9,21H2,1H3,(H,22,23)(H,25,28).
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(aminomethyl)cyclopropyl]carbamate has a molecular weight of 395.40 g/mol, XLogP of 2.23, 4 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-[1-(aminomethyl)cyclopropyl]carbamate is sourced from PubChem (CID 126597511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).