N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide

C28H24FN5O5 — CID 67509180

IUPACN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide
SMILESNC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3c(n2)-c2cc(F)ccc2OC3)OCCO1
InChIInChI=1S/C28H24FN5O5/c29-19-8-9-22-21(14-19)24-18(16-37-22)15-34(33-24)25-20(7-4-10-31-25)26(35)32-23(13-17-5-2-1-3-6-17)28(27(30)36)38-11-12-39-28/h1-10,14-15,23H,11-13,16H2,(H2,30,36)(H,32,35)
InChIKeyQHFSGWBXMIBGGI-UHFFFAOYSA-N
MW529.53 g/mol
LogP2.54
Rot. Bonds7

About N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide (PubChem CID 67509180) has the molecular formula C28H24FN5O5 and a molecular weight of 529.53 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide
PubChem CID67509180
Molecular FormulaC28H24FN5O5
Molecular Weight529.53 g/mol
Exact Mass529.18
IUPAC NameN-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide
SMILESNC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3c(n2)-c2cc(F)ccc2OC3)OCCO1
InChIInChI=1S/C28H24FN5O5/c29-19-8-9-22-21(14-19)24-18(16-37-22)15-34(33-24)25-20(7-4-10-31-25)26(35)32-23(13-17-5-2-1-3-6-17)28(27(30)36)38-11-12-39-28/h1-10,14-15,23H,11-13,16H2,(H2,30,36)(H,32,35)
InChIKeyQHFSGWBXMIBGGI-UHFFFAOYSA-N
XLogP2.54
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.53
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide (CID 67509180) is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide is NC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3c(n2)-c2cc(F)ccc2OC3)OCCO1.
What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QHFSGWBXMIBGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O5/c29-19-8-9-22-21(14-19)24-18(16-37-22)15-34(33-24)25-20(7-4-10-31-25)26(35)32-23(13-17-5-2-1-3-6-17)28(27(30)36)38-11-12-39-28/h1-10,14-15,23H,11-13,16H2,(H2,30,36)(H,32,35).
What are the key properties of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide?
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide has a molecular weight of 529.53 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(8-fluoro-4H-chromeno[4,3-c]pyrazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67509180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).