5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C30H30ClN7O3 — CID 162686006

IUPAC5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2nn3c(-c4cn[nH]c4)cc(N4Cc5ccc(Cl)cc5C4)nc3c2C(C)C)cc1
InChIInChI=1S/C30H30ClN7O3/c1-18(2)27-28(30(39)34-23-6-8-24(9-7-23)41-11-10-40-3)36-38-25(21-14-32-33-15-21)13-26(35-29(27)38)37-16-19-4-5-22(31)12-20(19)17-37/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,32,33)(H,34,39)
InChIKeyDALYZQHEHYSMEO-UHFFFAOYSA-N
MW572.07 g/mol
LogP5.69
Rot. Bonds9

About 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686006) has the molecular formula C30H30ClN7O3 and a molecular weight of 572.07 g/mol. Its IUPAC name is 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686006
Molecular FormulaC30H30ClN7O3
Molecular Weight572.07 g/mol
Exact Mass571.21
IUPAC Name5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2nn3c(-c4cn[nH]c4)cc(N4Cc5ccc(Cl)cc5C4)nc3c2C(C)C)cc1
InChIInChI=1S/C30H30ClN7O3/c1-18(2)27-28(30(39)34-23-6-8-24(9-7-23)41-11-10-40-3)36-38-25(21-14-32-33-15-21)13-26(35-29(27)38)37-16-19-4-5-22(31)12-20(19)17-37/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,32,33)(H,34,39)
InChIKeyDALYZQHEHYSMEO-UHFFFAOYSA-N
XLogP5.69
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.07
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
5-[benzyl(methyl)amino]-N-(4-cyanophenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686126
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109371663
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
4-(2,4-dichlorophenoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]butanamide
CID 17340529
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
CID 23012898
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686006) is 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COCCOc1ccc(NC(=O)c2nn3c(-c4cn[nH]c4)cc(N4Cc5ccc(Cl)cc5C4)nc3c2C(C)C)cc1.
What is the InChIKey of 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DALYZQHEHYSMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7O3/c1-18(2)27-28(30(39)34-23-6-8-24(9-7-23)41-11-10-40-3)36-38-25(21-14-32-33-15-21)13-26(35-29(27)38)37-16-19-4-5-22(31)12-20(19)17-37/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,32,33)(H,34,39).
What are the key properties of 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 572.07 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).