ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole

C23H36N6O — CID 156867094

IUPACethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
SMILESCC.CC.CC1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CCN1
InChIInChI=1S/C19H24N6O.2C2H6/c1-12(2)26-14-4-5-16-15(8-14)19(24-23-16)17-9-18(22-11-21-17)25-7-6-20-13(3)10-25;2*1-2/h4-5,8-9,11-13,20H,6-7,10H2,1-3H3,(H,23,24);2*1-2H3
InChIKeyDNTZIRJDOMMWBL-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.66
Rot. Bonds4

About ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole

ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole (PubChem CID 156867094) has the molecular formula C23H36N6O and a molecular weight of 412.58 g/mol. Its IUPAC name is ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole.

Molecular Properties

Compound Nameethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
PubChem CID156867094
Molecular FormulaC23H36N6O
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC Nameethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
SMILESCC.CC.CC1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CCN1
InChIInChI=1S/C19H24N6O.2C2H6/c1-12(2)26-14-4-5-16-15(8-14)19(24-23-16)17-9-18(22-11-21-17)25-7-6-20-13(3)10-25;2*1-2/h4-5,8-9,11-13,20H,6-7,10H2,1-3H3,(H,23,24);2*1-2H3
InChIKeyDNTZIRJDOMMWBL-UHFFFAOYSA-N
XLogP4.66
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123977170
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509
(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 130372041
1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 123220019
(2S,6R)-4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90400140
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-1H-indazole
CID 90398715
tert-butyl (3S)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-1-carboxylate
CID 162470087
4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 66331198
3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-5-[(2-methylpropan-2-yl)oxy]-1H-indazole
CID 156867230
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 90398682
4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
CID 90398510

Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
The IUPAC name of ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole (CID 156867094) is ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole.
What is the SMILES notation for ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
The canonical SMILES for ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole is CC.CC.CC1CN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CCN1.
What is the InChIKey of ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
The InChIKey is DNTZIRJDOMMWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O.2C2H6/c1-12(2)26-14-4-5-16-15(8-14)19(24-23-16)17-9-18(22-11-21-17)25-7-6-20-13(3)10-25;2*1-2/h4-5,8-9,11-13,20H,6-7,10H2,1-3H3,(H,23,24);2*1-2H3.
What are the key properties of ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole?
ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole has a molecular weight of 412.58 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole is sourced from PubChem (CID 156867094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).