3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C22H23N5O — CID 67521585

IUPAC3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1c(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)oc2ccccc12
InChIInChI=1S/C22H23N5O/c1-14-18-4-2-3-5-20(18)28-21(14)19-10-15(11-25-22(19)23)16-12-26-27(13-16)17-6-8-24-9-7-17/h2-5,10-13,17,24H,6-9H2,1H3,(H2,23,25)
InChIKeyOXOUZFAOYUVQKD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.17
Rot. Bonds3

About 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 67521585) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID67521585
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1c(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)oc2ccccc12
InChIInChI=1S/C22H23N5O/c1-14-18-4-2-3-5-20(18)28-21(14)19-10-15(11-25-22(19)23)16-12-26-27(13-16)17-6-8-24-9-7-17/h2-5,10-13,17,24H,6-9H2,1H3,(H2,23,25)
InChIKeyOXOUZFAOYUVQKD-UHFFFAOYSA-N
XLogP4.17
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromo-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 67521088
3-isoquinolin-3-yl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67520854
tert-butyl 4-[4-[6-amino-5-(3-chloro-1-benzofuran-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67520782
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110200
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
CID 67521356
3-(5-bromoisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67521182
3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate
CID 146424723
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 142746604
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
2-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-propyl-1,3-benzoxazol-6-amine
CID 70688055
3-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 143876630

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 67521585) is 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Cc1c(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)oc2ccccc12.
What is the InChIKey of 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is OXOUZFAOYUVQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-18-4-2-3-5-20(18)28-21(14)19-10-15(11-25-22(19)23)16-12-26-27(13-16)17-6-8-24-9-7-17/h2-5,10-13,17,24H,6-9H2,1H3,(H2,23,25).
What are the key properties of 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67521585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).