N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride

C28H40ClN7O2 — CID 175922018

IUPACN-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
SMILESCl.N[C@H]1CC[C@H](N(CC2CC2)C2CCc3cc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)ccc3C2)C1
InChIInChI=1S/C28H39N7O2.ClH/c29-22-5-8-25(17-22)35(18-19-1-2-19)24-7-4-20-15-23(6-3-21(20)16-24)34-12-9-26(32-28(34)37)31-27(36)33-13-10-30-11-14-33;/h3,6,9,12,15,19,22,24-25,30H,1-2,4-5,7-8,10-11,13-14,16-18,29H2,(H,31,32,36,37);1H/t22-,24?,25-;/m0./s1
InChIKeyWZEXACRPIOGTCB-SASVNYQSSA-N
MW542.13 g/mol
LogP2.54
Rot. Bonds6

About N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride

N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride (PubChem CID 175922018) has the molecular formula C28H40ClN7O2 and a molecular weight of 542.13 g/mol. Its IUPAC name is N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
PubChem CID175922018
Molecular FormulaC28H40ClN7O2
Molecular Weight542.13 g/mol
Exact Mass541.29
IUPAC NameN-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride
SMILESCl.N[C@H]1CC[C@H](N(CC2CC2)C2CCc3cc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)ccc3C2)C1
InChIInChI=1S/C28H39N7O2.ClH/c29-22-5-8-25(17-22)35(18-19-1-2-19)24-7-4-20-15-23(6-3-21(20)16-24)34-12-9-26(32-28(34)37)31-27(36)33-13-10-30-11-14-33;/h3,6,9,12,15,19,22,24-25,30H,1-2,4-5,7-8,10-11,13-14,16-18,29H2,(H,31,32,36,37);1H/t22-,24?,25-;/m0./s1
InChIKeyWZEXACRPIOGTCB-SASVNYQSSA-N
XLogP2.54
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.13
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride 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-[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-[[[(1S,3R)-3-aminocyclohexyl]-methylamino]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 168747641
N-[1-[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652100
N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651586
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
N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652351
N-[1-[4-[(3-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155006466
N-[1-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 168747598
N-[1-[4-[(2S)-2-amino-3-(3-aminoazetidin-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155008500
N-[1-[4-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651580
N-[1-[4-[2-[(4S)-4-aminoazepan-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651231

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 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) is N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride is Cl.N[C@H]1CC[C@H](N(CC2CC2)C2CCc3cc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)ccc3C2)C1.
What is the InChIKey of N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is WZEXACRPIOGTCB-SASVNYQSSA-N. The full InChI is InChI=1S/C28H39N7O2.ClH/c29-22-5-8-25(17-22)35(18-19-1-2-19)24-7-4-20-15-23(6-3-21(20)16-24)34-12-9-26(32-28(34)37)31-27(36)33-13-10-30-11-14-33;/h3,6,9,12,15,19,22,24-25,30H,1-2,4-5,7-8,10-11,13-14,16-18,29H2,(H,31,32,36,37);1H/t22-,24?,25-;/m0./s1.
What are the key properties of N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride?
N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 542.13 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[[(1S,3S)-3-aminocyclopentyl]-(cyclopropylmethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 175922018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).