N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

C23H29N7O3 — CID 175922023

IUPACN-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
SMILESNC1C2CN(C3COc4cc(-n5ccc(NC(=O)N6CCNCC6)nc5=O)ccc4C3)CC12
InChIInChI=1S/C23H29N7O3/c24-21-17-11-29(12-18(17)21)16-9-14-1-2-15(10-19(14)33-13-16)30-6-3-20(27-23(30)32)26-22(31)28-7-4-25-5-8-28/h1-3,6,10,16-18,21,25H,4-5,7-9,11-13,24H2,(H,26,27,31,32)
InChIKeyZFVJSMXZCCQBHM-UHFFFAOYSA-N
MW451.53 g/mol
LogP-0.14
Rot. Bonds3

About N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 175922023) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID175922023
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
SMILESNC1C2CN(C3COc4cc(-n5ccc(NC(=O)N6CCNCC6)nc5=O)ccc4C3)CC12
InChIInChI=1S/C23H29N7O3/c24-21-17-11-29(12-18(17)21)16-9-14-1-2-15(10-19(14)33-13-16)30-6-3-20(27-23(30)32)26-22(31)28-7-4-25-5-8-28/h1-3,6,10,16-18,21,25H,4-5,7-9,11-13,24H2,(H,26,27,31,32)
InChIKeyZFVJSMXZCCQBHM-UHFFFAOYSA-N
XLogP-0.14
TPSA117.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[1-[7-[3-(aminomethyl)azetidin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
CID 175922007
N-[1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154650492
N-[1-[4-[[(5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-(trifluoromethyl)phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154650397
N-[1-[7-(4-aminoazepan-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
CID 175921998
N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651586
N-[1-[4-[[(1R,2S,5R,6R)-6-amino-2-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154650376
N-[1-[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652100
N-[1-[4-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651580
N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
CID 175922018
N-[1-[4-[3-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 167383586
N-[1-[4-[[[(1S,3R)-3-aminocyclohexyl]-methylamino]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 168747641
N-[1-[4-[(3-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155006466

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 175922023) is N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is NC1C2CN(C3COc4cc(-n5ccc(NC(=O)N6CCNCC6)nc5=O)ccc4C3)CC12.
What is the InChIKey of N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is ZFVJSMXZCCQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c24-21-17-11-29(12-18(17)21)16-9-14-1-2-15(10-19(14)33-13-16)30-6-3-20(27-23(30)32)26-22(31)28-7-4-25-5-8-28/h1-3,6,10,16-18,21,25H,4-5,7-9,11-13,24H2,(H,26,27,31,32).
What are the key properties of N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 451.53 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-3,4-dihydro-2H-chromen-7-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 175922023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).