(2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine

C24H32FN5O — CID 178157106

IUPAC(2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C\C(=C(\C)NC)c1ccn(-c2ccc(N3CCC(OC4CC(F)C4)CC3)nc2)n1
InChIInChI=1S/C24H32FN5O/c1-4-5-22(17(2)26-3)23-10-13-30(28-23)19-6-7-24(27-16-19)29-11-8-20(9-12-29)31-21-14-18(25)15-21/h4-7,10,13,16,18,20-21,26H,8-9,11-12,14-15H2,1-3H3/b5-4-,22-17+
InChIKeyXSFMWGKSZAEOJQ-FDAPVAIHSA-N
MW425.55 g/mol
LogP4.28
Rot. Bonds7

About (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine

(2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine (PubChem CID 178157106) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine
PubChem CID178157106
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name(2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C\C(=C(\C)NC)c1ccn(-c2ccc(N3CCC(OC4CC(F)C4)CC3)nc2)n1
InChIInChI=1S/C24H32FN5O/c1-4-5-22(17(2)26-3)23-10-13-30(28-23)19-6-7-24(27-16-19)29-11-8-20(9-12-29)31-21-14-18(25)15-21/h4-7,10,13,16,18,20-21,26H,8-9,11-12,14-15H2,1-3H3/b5-4-,22-17+
InChIKeyXSFMWGKSZAEOJQ-FDAPVAIHSA-N
XLogP4.28
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine (CID 178157106) is (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine is C/C=C\C(=C(\C)NC)c1ccn(-c2ccc(N3CCC(OC4CC(F)C4)CC3)nc2)n1.
What is the InChIKey of (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine?
The InChIKey is XSFMWGKSZAEOJQ-FDAPVAIHSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-4-5-22(17(2)26-3)23-10-13-30(28-23)19-6-7-24(27-16-19)29-11-8-20(9-12-29)31-21-14-18(25)15-21/h4-7,10,13,16,18,20-21,26H,8-9,11-12,14-15H2,1-3H3/b5-4-,22-17+.
What are the key properties of (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine?
(2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine has a molecular weight of 425.55 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-[1-[6-[4-(3-fluorocyclobutyl)oxypiperidin-1-yl]-3-pyridinyl]pyrazol-3-yl]-N-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 178157106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).