N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine

C16H18ClN7 — CID 166128462

IUPACN-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCN1CCN(c2ncnc(Nc3n[nH]c4ccccc34)c2Cl)CC1
InChIInChI=1S/C16H18ClN7/c1-23-6-8-24(9-7-23)16-13(17)15(18-10-19-16)20-14-11-4-2-3-5-12(11)21-22-14/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyQLKKYEAYFJROJD-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.50
Rot. Bonds3

About N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine

N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 166128462) has the molecular formula C16H18ClN7 and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID166128462
Molecular FormulaC16H18ClN7
Molecular Weight343.82 g/mol
Exact Mass343.13
IUPAC NameN-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCN1CCN(c2ncnc(Nc3n[nH]c4ccccc34)c2Cl)CC1
InChIInChI=1S/C16H18ClN7/c1-23-6-8-24(9-7-23)16-13(17)15(18-10-19-16)20-14-11-4-2-3-5-12(11)21-22-14/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyQLKKYEAYFJROJD-UHFFFAOYSA-N
XLogP2.50
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
N-[2-(2-chlorophenyl)-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine;sulfur dioxide
CID 158445633
N-[6-(4-methylpiperazin-1-yl)-2-(2-phenylethenyl)pyrimidin-4-yl]-1H-indazol-3-amine
CID 90754084
N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine
CID 166129433
2-chloro-N-(1H-indazol-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 166129309
3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-indazole
CID 167350617
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216
3-(azocan-1-yl)-1H-indazole
CID 178043244
5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 14823442
4-N-(3-chloro-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22545332
2-chloro-N-(1H-indazol-3-yl)pyrimido[4,5-d]pyrimidin-4-amine
CID 20626340
N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine (CID 166128462) is N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine is CN1CCN(c2ncnc(Nc3n[nH]c4ccccc34)c2Cl)CC1.
What is the InChIKey of N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is QLKKYEAYFJROJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7/c1-23-6-8-24(9-7-23)16-13(17)15(18-10-19-16)20-14-11-4-2-3-5-12(11)21-22-14/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine?
N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 343.82 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 166128462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).