5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole

C24H25N5O — CID 90401021

IUPAC5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(c5ccncc5)C4)c3)c2c1
InChIInChI=1S/C24H25N5O/c1-16(2)30-20-3-4-22-21(14-20)24(28-27-22)18-7-11-26-23(13-18)29-12-8-19(15-29)17-5-9-25-10-6-17/h3-7,9-11,13-14,16,19H,8,12,15H2,1-2H3,(H,27,28)
InChIKeyDPYBBNDJBDXQOV-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.80
Rot. Bonds5

About 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole

5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole (PubChem CID 90401021) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole
PubChem CID90401021
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(c5ccncc5)C4)c3)c2c1
InChIInChI=1S/C24H25N5O/c1-16(2)30-20-3-4-22-21(14-20)24(28-27-22)18-7-11-26-23(13-18)29-12-8-19(15-29)17-5-9-25-10-6-17/h3-7,9-11,13-14,16,19H,8,12,15H2,1-2H3,(H,27,28)
InChIKeyDPYBBNDJBDXQOV-UHFFFAOYSA-N
XLogP4.80
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole?
The IUPAC name of 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole (CID 90401021) is 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole?
The canonical SMILES for 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCC(c5ccncc5)C4)c3)c2c1.
What is the InChIKey of 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole?
The InChIKey is DPYBBNDJBDXQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16(2)30-20-3-4-22-21(14-20)24(28-27-22)18-7-11-26-23(13-18)29-12-8-19(15-29)17-5-9-25-10-6-17/h3-7,9-11,13-14,16,19H,8,12,15H2,1-2H3,(H,27,28).
What are the key properties of 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole?
5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole has a molecular weight of 399.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole is sourced from PubChem (CID 90401021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).