tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate

C25H31N7O4 — CID 168891834

IUPACtert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCn1cc2cc(NC(=O)c3cnc(N4CCC(N(C(=O)OC(C)(C)C)C5CC5)C4)cn3)c(O)cc2n1
InChIInChI=1S/C25H31N7O4/c1-25(2,3)36-24(35)32(16-5-6-16)17-7-8-31(14-17)22-12-26-20(11-27-22)23(34)28-19-9-15-13-30(4)29-18(15)10-21(19)33/h9-13,16-17,33H,5-8,14H2,1-4H3,(H,28,34)
InChIKeyZFVHPARZGLGDPX-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.30
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 168891834) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID168891834
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC Nametert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCn1cc2cc(NC(=O)c3cnc(N4CCC(N(C(=O)OC(C)(C)C)C5CC5)C4)cn3)c(O)cc2n1
InChIInChI=1S/C25H31N7O4/c1-25(2,3)36-24(35)32(16-5-6-16)17-7-8-31(14-17)22-12-26-20(11-27-22)23(34)28-19-9-15-13-30(4)29-18(15)10-21(19)33/h9-13,16-17,33H,5-8,14H2,1-4H3,(H,28,34)
InChIKeyZFVHPARZGLGDPX-UHFFFAOYSA-N
XLogP3.30
TPSA125.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]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 175963719
CID 175963719
N-(6-ethoxy-2-methylindazol-5-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507678
lithium tert-butyl N-cyclopropyl-N-[(3R)-1-[5-(oxomethyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 175506318
5-[(3S,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)pyrazine-2-carboxamide
CID 166848173
5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 166507581
tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 162433725
tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 168977584
6-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)pyridine-2-carboxamide
CID 118233202
N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-4-carboxamide
CID 123930185
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate
CID 172551782
methyl 5-bromo-6-[4-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118267207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate (CID 168891834) is tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate is Cn1cc2cc(NC(=O)c3cnc(N4CCC(N(C(=O)OC(C)(C)C)C5CC5)C4)cn3)c(O)cc2n1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is ZFVHPARZGLGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-25(2,3)36-24(35)32(16-5-6-16)17-7-8-31(14-17)22-12-26-20(11-27-22)23(34)28-19-9-15-13-30(4)29-18(15)10-21(19)33/h9-13,16-17,33H,5-8,14H2,1-4H3,(H,28,34).
What are the key properties of tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 493.57 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 168891834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).