4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide

C24H22FN5O2 — CID 56941067

IUPAC4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C24H22FN5O2/c25-20-4-2-1-3-17(20)14-30-11-12-32-22(15-30)24(31)27-18-5-6-21-19(13-18)23(29-28-21)16-7-9-26-10-8-16/h1-10,13,22H,11-12,14-15H2,(H,27,31)(H,28,29)
InChIKeyCDHDJCTXBIUKGS-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.60
Rot. Bonds5

About 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide

4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (PubChem CID 56941067) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
PubChem CID56941067
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C24H22FN5O2/c25-20-4-2-1-3-17(20)14-30-11-12-32-22(15-30)24(31)27-18-5-6-21-19(13-18)23(29-28-21)16-7-9-26-10-8-16/h1-10,13,22H,11-12,14-15H2,(H,27,31)(H,28,29)
InChIKeyCDHDJCTXBIUKGS-UHFFFAOYSA-N
XLogP3.60
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide (CID 56941067) is 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CN(Cc2ccccc2F)CCO1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
The InChIKey is CDHDJCTXBIUKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-20-4-2-1-3-17(20)14-30-11-12-32-22(15-30)24(31)27-18-5-6-21-19(13-18)23(29-28-21)16-7-9-26-10-8-16/h1-10,13,22H,11-12,14-15H2,(H,27,31)(H,28,29).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide?
4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 56941067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).