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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Related Compounds

4-Aminopyrazole quinazoline, 7
CID 25138095
4-Aminopyrazole quinazoline, 8
CID 25138096
(1E)-1-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91068408
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenol
CID 90791319
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazine
CID 91223202
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-[(4-methoxyphenyl)methylidene]hydrazine
CID 91399119
(2-{4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenoxy}ethyl)dimethylamine
CID 91574694
1-(3-methoxyphenyl)-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604949
N-[(E)-[4-[2-(dimethylamino)ethoxy]phenyl]methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604951
4-[[4-(4-Methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24961360
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096

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).