N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide

C21H17FN6O — CID 162352123

IUPACN-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1cncc(-c2cn3ccnc3c(NC3CC3)n2)c1)c1cccc(F)c1
InChIInChI=1S/C21H17FN6O/c22-15-3-1-2-13(8-15)21(29)26-17-9-14(10-23-11-17)18-12-28-7-6-24-20(28)19(27-18)25-16-4-5-16/h1-3,6-12,16H,4-5H2,(H,25,27)(H,26,29)
InChIKeyKOVKCUZEQFHAJL-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.76
Rot. Bonds5

About N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide

N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide (PubChem CID 162352123) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide
PubChem CID162352123
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC NameN-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide
SMILESO=C(Nc1cncc(-c2cn3ccnc3c(NC3CC3)n2)c1)c1cccc(F)c1
InChIInChI=1S/C21H17FN6O/c22-15-3-1-2-13(8-15)21(29)26-17-9-14(10-23-11-17)18-12-28-7-6-24-20(28)19(27-18)25-16-4-5-16/h1-3,6-12,16H,4-5H2,(H,25,27)(H,26,29)
InChIKeyKOVKCUZEQFHAJL-UHFFFAOYSA-N
XLogP3.76
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide (CID 162352123) is N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide is O=C(Nc1cncc(-c2cn3ccnc3c(NC3CC3)n2)c1)c1cccc(F)c1.
What is the InChIKey of N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is KOVKCUZEQFHAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-15-3-1-2-13(8-15)21(29)26-17-9-14(10-23-11-17)18-12-28-7-6-24-20(28)19(27-18)25-16-4-5-16/h1-3,6-12,16H,4-5H2,(H,25,27)(H,26,29).
What are the key properties of N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide?
N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide has a molecular weight of 388.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 162352123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).