1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine

C25H25N5O2 — CID 145153580

IUPAC1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine
SMILESC=C1C(Nc2cccc(OC)c2)CCN1c1ccc(-c2ccc3[nH]ncc3c2)c(OC)n1
InChIInChI=1S/C25H25N5O2/c1-16-22(27-19-5-4-6-20(14-19)31-2)11-12-30(16)24-10-8-21(25(28-24)32-3)17-7-9-23-18(13-17)15-26-29-23/h4-10,13-15,22,27H,1,11-12H2,2-3H3,(H,26,29)
InChIKeyQCROPZJDHVWAGA-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.85
Rot. Bonds6

About 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine

1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine (PubChem CID 145153580) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine
PubChem CID145153580
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine
SMILESC=C1C(Nc2cccc(OC)c2)CCN1c1ccc(-c2ccc3[nH]ncc3c2)c(OC)n1
InChIInChI=1S/C25H25N5O2/c1-16-22(27-19-5-4-6-20(14-19)31-2)11-12-30(16)24-10-8-21(25(28-24)32-3)17-7-9-23-18(13-17)15-26-29-23/h4-10,13-15,22,27H,1,11-12H2,2-3H3,(H,26,29)
InChIKeyQCROPZJDHVWAGA-UHFFFAOYSA-N
XLogP4.85
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine?
The IUPAC name of 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine (CID 145153580) is 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine?
The canonical SMILES for 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine is C=C1C(Nc2cccc(OC)c2)CCN1c1ccc(-c2ccc3[nH]ncc3c2)c(OC)n1.
What is the InChIKey of 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine?
The InChIKey is QCROPZJDHVWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-22(27-19-5-4-6-20(14-19)31-2)11-12-30(16)24-10-8-21(25(28-24)32-3)17-7-9-23-18(13-17)15-26-29-23/h4-10,13-15,22,27H,1,11-12H2,2-3H3,(H,26,29).
What are the key properties of 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine?
1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine has a molecular weight of 427.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-indazol-5-yl)-6-methoxy-2-pyridinyl]-N-(3-methoxyphenyl)-2-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 145153580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).