4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide

C22H27N5O — CID 50973924

IUPAC4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
SMILESCN(C)C1CCN(Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1
InChIInChI=1S/C22H27N5O/c1-25(2)20-10-11-27(15-20)14-16-4-6-17(7-5-16)22(28)24-19-8-9-21-18(12-19)13-23-26(21)3/h4-9,12-13,20H,10-11,14-15H2,1-3H3,(H,24,28)
InChIKeyUUFJWNMWUYMRPO-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.96
Rot. Bonds5

About 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide

4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide (PubChem CID 50973924) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
PubChem CID50973924
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
SMILESCN(C)C1CCN(Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1
InChIInChI=1S/C22H27N5O/c1-25(2)20-10-11-27(15-20)14-16-4-6-17(7-5-16)22(28)24-19-8-9-21-18(12-19)13-23-26(21)3/h4-9,12-13,20H,10-11,14-15H2,1-3H3,(H,24,28)
InChIKeyUUFJWNMWUYMRPO-UHFFFAOYSA-N
XLogP2.96
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 69240065
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
CID 167977178
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
CID 145450109
N-[1-[4-[[4-[3-(dimethylamino)pyrrolidin-1-yl]benzoyl]amino]phenyl]indazol-5-yl]thiophene-2-carboxamide
CID 67113207
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
CID 72893991
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
The IUPAC name of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide (CID 50973924) is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide.
What is the SMILES notation for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
The canonical SMILES for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide is CN(C)C1CCN(Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1.
What is the InChIKey of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
The InChIKey is UUFJWNMWUYMRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-25(2)20-10-11-27(15-20)14-16-4-6-17(7-5-16)22(28)24-19-8-9-21-18(12-19)13-23-26(21)3/h4-9,12-13,20H,10-11,14-15H2,1-3H3,(H,24,28).
What are the key properties of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide is sourced from PubChem (CID 50973924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).