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N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide

C20H18FN5O2 — CID 155588704

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1ccc2cn[nH]c2c1)Nc1ccnc(C(=O)NC23CC(F)(C2)C3)c1
InChIInChI=1S/C20H18FN5O2/c21-19-9-20(10-19,11-19)25-18(28)16-7-14(3-4-22-16)24-17(27)6-12-1-2-13-8-23-26-15(13)5-12/h1-5,7-8H,6,9-11H2,(H,23,26)(H,25,28)(H,22,24,27)
InChIKeyIKFHGRDACLWHNJ-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.51
Rot. Bonds5

About N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide

N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 155588704) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
PubChem CID155588704
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC NameN-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide
SMILESO=C(Cc1ccc2cn[nH]c2c1)Nc1ccnc(C(=O)NC23CC(F)(C2)C3)c1
InChIInChI=1S/C20H18FN5O2/c21-19-9-20(10-19,11-19)25-18(28)16-7-14(3-4-22-16)24-17(27)6-12-1-2-13-8-23-26-15(13)5-12/h1-5,7-8H,6,9-11H2,(H,23,26)(H,25,28)(H,22,24,27)
InChIKeyIKFHGRDACLWHNJ-UHFFFAOYSA-N
XLogP2.51
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide (CID 155588704) is N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide is O=C(Cc1ccc2cn[nH]c2c1)Nc1ccnc(C(=O)NC23CC(F)(C2)C3)c1.
What is the InChIKey of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is IKFHGRDACLWHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-19-9-20(10-19,11-19)25-18(28)16-7-14(3-4-22-16)24-17(27)6-12-1-2-13-8-23-26-15(13)5-12/h1-5,7-8H,6,9-11H2,(H,23,26)(H,25,28)(H,22,24,27).
What are the key properties of N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide?
N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-4-[[2-(1H-indazol-6-yl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155588704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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