5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide

C22H25ClFN5O3 — CID 138462915

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC3O)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C22H25ClFN5O3/c1-9(2)32-19-12(7-13(23)17(24)16(19)22(31)28-14-8-15(14)30)10(3)21-27-11(4)18-20(25)26-5-6-29(18)21/h5-7,9-10,14-15,30H,8H2,1-4H3,(H2,25,26)(H,28,31)
InChIKeyGWDPAUPONFLUJK-UHFFFAOYSA-N
MW461.93 g/mol
LogP3.21
Rot. Bonds6

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide (PubChem CID 138462915) has the molecular formula C22H25ClFN5O3 and a molecular weight of 461.93 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide
PubChem CID138462915
Molecular FormulaC22H25ClFN5O3
Molecular Weight461.93 g/mol
Exact Mass461.16
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC3O)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C22H25ClFN5O3/c1-9(2)32-19-12(7-13(23)17(24)16(19)22(31)28-14-8-15(14)30)10(3)21-27-11(4)18-20(25)26-5-6-29(18)21/h5-7,9-10,14-15,30H,8H2,1-4H3,(H2,25,26)(H,28,31)
InChIKeyGWDPAUPONFLUJK-UHFFFAOYSA-N
XLogP3.21
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide (CID 138462915) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC3O)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide?
The InChIKey is GWDPAUPONFLUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O3/c1-9(2)32-19-12(7-13(23)17(24)16(19)22(31)28-14-8-15(14)30)10(3)21-27-11(4)18-20(25)26-5-6-29(18)21/h5-7,9-10,14-15,30H,8H2,1-4H3,(H2,25,26)(H,28,31).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide has a molecular weight of 461.93 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(2-hydroxycyclopropyl)-6-propan-2-yloxybenzamide is sourced from PubChem (CID 138462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).