benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate

C30H30FN7O4 — CID 166026370

IUPACbenzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate
SMILESNc1ncc(-c2ccc(CCNC(=O)OCc3ccccc3)cc2F)nc1C(=O)Nc1cnccc1N1CCOCC1
InChIInChI=1S/C30H30FN7O4/c31-23-16-20(8-11-34-30(40)42-19-21-4-2-1-3-5-21)6-7-22(23)24-18-35-28(32)27(36-24)29(39)37-25-17-33-10-9-26(25)38-12-14-41-15-13-38/h1-7,9-10,16-18H,8,11-15,19H2,(H2,32,35)(H,34,40)(H,37,39)
InChIKeyUQHUUXZODCHGBT-UHFFFAOYSA-N
MW571.61 g/mol
LogP3.82
Rot. Bonds9

About benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate

benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate (PubChem CID 166026370) has the molecular formula C30H30FN7O4 and a molecular weight of 571.61 g/mol. Its IUPAC name is benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate
PubChem CID166026370
Molecular FormulaC30H30FN7O4
Molecular Weight571.61 g/mol
Exact Mass571.23
IUPAC Namebenzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate
SMILESNc1ncc(-c2ccc(CCNC(=O)OCc3ccccc3)cc2F)nc1C(=O)Nc1cnccc1N1CCOCC1
InChIInChI=1S/C30H30FN7O4/c31-23-16-20(8-11-34-30(40)42-19-21-4-2-1-3-5-21)6-7-22(23)24-18-35-28(32)27(36-24)29(39)37-25-17-33-10-9-26(25)38-12-14-41-15-13-38/h1-7,9-10,16-18H,8,11-15,19H2,(H2,32,35)(H,34,40)(H,37,39)
InChIKeyUQHUUXZODCHGBT-UHFFFAOYSA-N
XLogP3.82
TPSA144.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.61
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]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

3-amino-N-cyclohexyl-6-[4-(methoxymethyl)phenyl]pyrazine-2-carboxamide
CID 129202596
3-Amino-6-[4-(2-Hydroxyethyl)phenyl]-N-[4-(Morpholin-4-Yl)pyridin-3-Yl]pyrazine-2-Carboxamide
CID 118988613
[(3S,5S)-5-amino-1-[3-[[3-amino-6-(2,6-difluorophenyl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 68187583
[5-Amino-1-[3-[[3-amino-6-(2,6-difluorophenyl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 77420753
3-({[3-Amino-6-(2,6-difluorophenyl)pyrazin-2-yl]carbonyl}amino)-4-{(3S)-3-[(tert-butoxycarbonyl)amino]piperidin-1-yl}-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate
CID 86726790
Tert-butyl 4-[2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]-2,5-difluorophenoxy]ethyl]piperazine-1-carboxylate
CID 91542189
[3-[[3-amino-6-(2,6-difluorophenyl)pyrazine-2-carbonyl]amino]-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate
CID 123170888
3-amino-6-[4-(2-aminoethyl)-2,6-difluorophenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 156413277
3-amino-6-[4-(2-aminoethyl)-2-fluorophenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 156413359
benzyl N-[2-[4-[5-amino-6-[(6-fluoro-4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethyl]carbamate
CID 156413507
3-amino-6-[4-(3-aminopropyl)phenyl]-N-(5-fluoro-2-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 156413781
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-(6-piperazin-1-yl-3-pyridinyl)pyrazine-2-carboxylate
CID 163221835

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate (CID 166026370) is benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate is Nc1ncc(-c2ccc(CCNC(=O)OCc3ccccc3)cc2F)nc1C(=O)Nc1cnccc1N1CCOCC1.
What is the InChIKey of benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate?
The InChIKey is UQHUUXZODCHGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN7O4/c31-23-16-20(8-11-34-30(40)42-19-21-4-2-1-3-5-21)6-7-22(23)24-18-35-28(32)27(36-24)29(39)37-25-17-33-10-9-26(25)38-12-14-41-15-13-38/h1-7,9-10,16-18H,8,11-15,19H2,(H2,32,35)(H,34,40)(H,37,39).
What are the key properties of benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate?
benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate has a molecular weight of 571.61 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3-fluorophenyl]ethyl]carbamate is sourced from PubChem (CID 166026370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).