N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride

C19H25ClN8O2 — CID 120642100

IUPACN-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H24N8O2.ClH/c1-27-19(23-17(26-27)12-6-9-20-10-7-12)22-15(28)8-11-21-18(29)16-13-4-2-3-5-14(13)24-25-16;/h2-5,12,20H,6-11H2,1H3,(H,21,29)(H,24,25)(H,22,23,26,28);1H
InChIKeyIIUSCESXXVJUMJ-UHFFFAOYSA-N
MW432.92 g/mol
LogP1.34
Rot. Bonds6

About N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride

N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 120642100) has the molecular formula C19H25ClN8O2 and a molecular weight of 432.92 g/mol. Its IUPAC name is N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID120642100
Molecular FormulaC19H25ClN8O2
Molecular Weight432.92 g/mol
Exact Mass432.18
IUPAC NameN-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CCNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C19H24N8O2.ClH/c1-27-19(23-17(26-27)12-6-9-20-10-7-12)22-15(28)8-11-21-18(29)16-13-4-2-3-5-14(13)24-25-16;/h2-5,12,20H,6-11H2,1H3,(H,21,29)(H,24,25)(H,22,23,26,28);1H
InChIKeyIIUSCESXXVJUMJ-UHFFFAOYSA-N
XLogP1.34
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
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N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
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N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
CID 170858443
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide;hydrochloride
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N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride (CID 120642100) is N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)CCNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is IIUSCESXXVJUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2.ClH/c1-27-19(23-17(26-27)12-6-9-20-10-7-12)22-15(28)8-11-21-18(29)16-13-4-2-3-5-14(13)24-25-16;/h2-5,12,20H,6-11H2,1H3,(H,21,29)(H,24,25)(H,22,23,26,28);1H.
What are the key properties of N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride?
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 432.92 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120642100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).