2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid

C24H30N4O5 — CID 155260057

IUPAC2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid
SMILESCN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C24H30N4O5/c1-23(2,3)33-22(32)27-11-12-28-19(15-27)18(14-25-28)21(31)26(4)24(9-10-24)17-7-5-16(6-8-17)13-20(29)30/h5-8,14H,9-13,15H2,1-4H3,(H,29,30)
InChIKeyQXZFCMQRSYNVJB-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid

2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid (PubChem CID 155260057) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid
PubChem CID155260057
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid
SMILESCN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C24H30N4O5/c1-23(2,3)33-22(32)27-11-12-28-19(15-27)18(14-25-28)21(31)26(4)24(9-10-24)17-7-5-16(6-8-17)13-20(29)30/h5-8,14H,9-13,15H2,1-4H3,(H,29,30)
InChIKeyQXZFCMQRSYNVJB-UHFFFAOYSA-N
XLogP3.02
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 4-[1-(methylamino)cyclopropyl]benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 165039827
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
CID 155260063
tert-butyl 3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;6,6-difluoro-3-azabicyclo[3.1.0]hexane;5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid;hydrochloride
CID 167678210
tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane
CID 155716331
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155260056
5-N-(3-chloro-4-fluorophenyl)-3-N-methyl-3-N-(1-pyridin-4-ylcyclopropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 156772475
tert-butyl 3-carbamoyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 170622419
1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-(5-bromo-2-pyridinyl)cyclopropyl]-N-methylcarbamate;tert-butyl N-methyl-N-[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamate;tert-butyl 3-[methyl-[1-(5-methyl-2-pyridinyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-(1-pyridin-2-ylcyclopropyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tetrakis(carbon dioxide);N-methyl-1-(5-methyl-2-pyridinyl)cyclopropan-1-amine
CID 165084761
tert-butyl 3-(aminomethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 165367461
tert-butyl 3-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484167

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid (CID 155260057) is 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid is CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(CC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid?
The InChIKey is QXZFCMQRSYNVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-23(2,3)33-22(32)27-11-12-28-19(15-27)18(14-25-28)21(31)26(4)24(9-10-24)17-7-5-16(6-8-17)13-20(29)30/h5-8,14H,9-13,15H2,1-4H3,(H,29,30).
What are the key properties of 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid?
2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid has a molecular weight of 454.53 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid is sourced from PubChem (CID 155260057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).