1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol

C19H22N4O2 — CID 118930235

IUPAC1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCC(O)C4)c3)c2c1
InChIInChI=1S/C19H22N4O2/c1-13(2)25-17-4-3-14-11-21-23(18(14)10-17)15-5-7-20-19(9-15)22-8-6-16(24)12-22/h3-5,7,9-11,13,16,24H,6,8,12H2,1-2H3
InChIKeyAULKBCQOSJJVMD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.78
Rot. Bonds4

About 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol

1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 118930235) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID118930235
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC(C)Oc1ccc2cnn(-c3ccnc(N4CCC(O)C4)c3)c2c1
InChIInChI=1S/C19H22N4O2/c1-13(2)25-17-4-3-14-11-21-23(18(14)10-17)15-5-7-20-19(9-15)22-8-6-16(24)12-22/h3-5,7,9-11,13,16,24H,6,8,12H2,1-2H3
InChIKeyAULKBCQOSJJVMD-UHFFFAOYSA-N
XLogP2.78
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 118930235) is 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol is CC(C)Oc1ccc2cnn(-c3ccnc(N4CCC(O)C4)c3)c2c1.
What is the InChIKey of 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is AULKBCQOSJJVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)25-17-4-3-14-11-21-23(18(14)10-17)15-5-7-20-19(9-15)22-8-6-16(24)12-22/h3-5,7,9-11,13,16,24H,6,8,12H2,1-2H3.
What are the key properties of 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol?
1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 338.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-propan-2-yloxyindazol-1-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 118930235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).