N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide

C19H23N7O — CID 39541539

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1cccc2cn[nH]c12
InChIInChI=1S/C19H23N7O/c27-18(16-5-1-4-15-14-23-24-17(15)16)20-8-3-9-25-10-12-26(13-11-25)19-21-6-2-7-22-19/h1-2,4-7,14H,3,8-13H2,(H,20,27)(H,23,24)
InChIKeyMZVGHHHCECAZKZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.29
Rot. Bonds6

About N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide (PubChem CID 39541539) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide
PubChem CID39541539
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide
SMILESO=C(NCCCN1CCN(c2ncccn2)CC1)c1cccc2cn[nH]c12
InChIInChI=1S/C19H23N7O/c27-18(16-5-1-4-15-14-23-24-17(15)16)20-8-3-9-25-10-12-26(13-11-25)19-21-6-2-7-22-19/h1-2,4-7,14H,3,8-13H2,(H,20,27)(H,23,24)
InChIKeyMZVGHHHCECAZKZ-UHFFFAOYSA-N
XLogP1.29
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
5-chloro-2-hydroxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 30830336
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 119901319
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
2-bromo-5-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539971
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
1-[2-(2,6-difluorophenyl)ethyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 55923113
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide (CID 39541539) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide is O=C(NCCCN1CCN(c2ncccn2)CC1)c1cccc2cn[nH]c12.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide?
The InChIKey is MZVGHHHCECAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c27-18(16-5-1-4-15-14-23-24-17(15)16)20-8-3-9-25-10-12-26(13-11-25)19-21-6-2-7-22-19/h1-2,4-7,14H,3,8-13H2,(H,20,27)(H,23,24).
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 39541539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).