(3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C24H25N5O2 — CID 118674459

IUPAC(3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2C[C@@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)c1
InChIInChI=1S/C24H25N5O2/c1-16-8-17(14-28(16)24(30)19-4-3-5-22(10-19)31-2)15-29-23-7-6-18(9-20(23)13-27-29)21-11-25-26-12-21/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26)/t16-,17+/m1/s1
InChIKeyADHWHMQVMWAJBE-SJORKVTESA-N
MW415.50 g/mol
LogP3.99
Rot. Bonds5

About (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone

(3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 118674459) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID118674459
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name(3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2C[C@@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)c1
InChIInChI=1S/C24H25N5O2/c1-16-8-17(14-28(16)24(30)19-4-3-5-22(10-19)31-2)15-29-23-7-6-18(9-20(23)13-27-29)21-11-25-26-12-21/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26)/t16-,17+/m1/s1
InChIKeyADHWHMQVMWAJBE-SJORKVTESA-N
XLogP3.99
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 118674459) is (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone is COc1cccc(C(=O)N2C[C@@H](Cn3ncc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)c1.
What is the InChIKey of (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is ADHWHMQVMWAJBE-SJORKVTESA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-8-17(14-28(16)24(30)19-4-3-5-22(10-19)31-2)15-29-23-7-6-18(9-20(23)13-27-29)21-11-25-26-12-21/h3-7,9-13,16-17H,8,14-15H2,1-2H3,(H,25,26)/t16-,17+/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
(3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 415.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118674459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).