3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine

C33H41N5O2 — CID 142064608

IUPAC3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine
SMILESC=C(c1ccc(Oc2ccc(CC(C)(C)NCC(C)COc3cccc4[nH]ncc34)cc2)nc1)N1CCCCC1
InChIInChI=1S/C33H41N5O2/c1-24(23-39-31-10-8-9-30-29(31)22-36-37-30)20-35-33(3,4)19-26-11-14-28(15-12-26)40-32-16-13-27(21-34-32)25(2)38-17-6-5-7-18-38/h8-16,21-22,24,35H,2,5-7,17-20,23H2,1,3-4H3,(H,36,37)
InChIKeyUISCCKHKXJYESN-UHFFFAOYSA-N
MW539.72 g/mol
LogP6.83
Rot. Bonds12

About 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine

3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine (PubChem CID 142064608) has the molecular formula C33H41N5O2 and a molecular weight of 539.72 g/mol. Its IUPAC name is 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine
PubChem CID142064608
Molecular FormulaC33H41N5O2
Molecular Weight539.72 g/mol
Exact Mass539.33
IUPAC Name3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine
SMILESC=C(c1ccc(Oc2ccc(CC(C)(C)NCC(C)COc3cccc4[nH]ncc34)cc2)nc1)N1CCCCC1
InChIInChI=1S/C33H41N5O2/c1-24(23-39-31-10-8-9-30-29(31)22-36-37-30)20-35-33(3,4)19-26-11-14-28(15-12-26)40-32-16-13-27(21-34-32)25(2)38-17-6-5-7-18-38/h8-16,21-22,24,35H,2,5-7,17-20,23H2,1,3-4H3,(H,36,37)
InChIKeyUISCCKHKXJYESN-UHFFFAOYSA-N
XLogP6.83
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine?
The IUPAC name of 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine (CID 142064608) is 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine.
What is the SMILES notation for 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine?
The canonical SMILES for 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine is C=C(c1ccc(Oc2ccc(CC(C)(C)NCC(C)COc3cccc4[nH]ncc34)cc2)nc1)N1CCCCC1.
What is the InChIKey of 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine?
The InChIKey is UISCCKHKXJYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O2/c1-24(23-39-31-10-8-9-30-29(31)22-36-37-30)20-35-33(3,4)19-26-11-14-28(15-12-26)40-32-16-13-27(21-34-32)25(2)38-17-6-5-7-18-38/h8-16,21-22,24,35H,2,5-7,17-20,23H2,1,3-4H3,(H,36,37).
What are the key properties of 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine?
3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine has a molecular weight of 539.72 g/mol, XLogP of 6.83, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yloxy)-2-methyl-N-[2-methyl-1-[4-[[5-(1-piperidin-1-ylethenyl)-2-pyridinyl]oxy]phenyl]propan-2-yl]propan-1-amine is sourced from PubChem (CID 142064608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).