N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine

C17H19ClN7O- — CID 143370615

IUPACN-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCc1nc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)nc(Cl)c1N[O-]
InChIInChI=1S/C17H19ClN7O/c1-10-15(24-26)16(18)22-17(20-10)25-6-2-3-13(9-25)21-12-4-5-14-11(7-12)8-19-23-14/h4-5,7-8,13,21,24H,2-3,6,9H2,1H3,(H,19,23)/q-1
InChIKeyGNKSWCKSNVHAJM-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.31
Rot. Bonds4

About N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 143370615) has the molecular formula C17H19ClN7O- and a molecular weight of 372.84 g/mol. Its IUPAC name is N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID143370615
Molecular FormulaC17H19ClN7O-
Molecular Weight372.84 g/mol
Exact Mass372.13
IUPAC NameN-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCc1nc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)nc(Cl)c1N[O-]
InChIInChI=1S/C17H19ClN7O/c1-10-15(24-26)16(18)22-17(20-10)25-6-2-3-13(9-25)21-12-4-5-14-11(7-12)8-19-23-14/h4-5,7-8,13,21,24H,2-3,6,9H2,1H3,(H,19,23)/q-1
InChIKeyGNKSWCKSNVHAJM-UHFFFAOYSA-N
XLogP3.31
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methylphenyl)piperidin-3-yl]-1H-indazol-5-amine;1,1,1-trifluoroethane
CID 143370588
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
4-amino-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 143370599
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-1H-indazol-6-amine
CID 143370604
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
CID 143370496
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
CID 143370501
N-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022546
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine (CID 143370615) is N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine is Cc1nc(N2CCCC(Nc3ccc4[nH]ncc4c3)C2)nc(Cl)c1N[O-].
What is the InChIKey of N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is GNKSWCKSNVHAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN7O/c1-10-15(24-26)16(18)22-17(20-10)25-6-2-3-13(9-25)21-12-4-5-14-11(7-12)8-19-23-14/h4-5,7-8,13,21,24H,2-3,6,9H2,1H3,(H,19,23)/q-1.
What are the key properties of N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 372.84 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 143370615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).