N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride

C17H24ClN5O2 — CID 119652161

IUPACN-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)C(C)NC(=O)c1n[nH]c2ccccc12.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-11(17(24)22-9-5-6-12(22)10-18-2)19-16(23)15-13-7-3-4-8-14(13)20-21-15;/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3,(H,19,23)(H,20,21);1H
InChIKeyYOJFLYAHXNQTEU-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.31
Rot. Bonds5

About N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride

N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119652161) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119652161
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC NameN-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)C(C)NC(=O)c1n[nH]c2ccccc12.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-11(17(24)22-9-5-6-12(22)10-18-2)19-16(23)15-13-7-3-4-8-14(13)20-21-15;/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3,(H,19,23)(H,20,21);1H
InChIKeyYOJFLYAHXNQTEU-UHFFFAOYSA-N
XLogP1.31
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
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N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
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1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
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N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119652255

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride (CID 119652161) is N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride is CNCC1CCCN1C(=O)C(C)NC(=O)c1n[nH]c2ccccc12.Cl.
What is the InChIKey of N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is YOJFLYAHXNQTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-11(17(24)22-9-5-6-12(22)10-18-2)19-16(23)15-13-7-3-4-8-14(13)20-21-15;/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3,(H,19,23)(H,20,21);1H.
What are the key properties of N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride?
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119652161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).