N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C22H23F2N3O3 — CID 135185577

IUPACN-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILES[2H]C1(NC(=O)c2ccn3c(COC)cc(C(C)C)nc23)CCOc2cc(F)c(F)cc21
InChIInChI=1S/C22H23F2N3O3/c1-12(2)19-8-13(11-29-3)27-6-4-14(21(27)25-19)22(28)26-18-5-7-30-20-10-17(24)16(23)9-15(18)20/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,26,28)/i18D
InChIKeyVEPPOZWATLJLDT-VAAKKRCDSA-N
MW416.45 g/mol
LogP4.14
Rot. Bonds5

About N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 135185577) has the molecular formula C22H23F2N3O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID135185577
Molecular FormulaC22H23F2N3O3
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC NameN-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILES[2H]C1(NC(=O)c2ccn3c(COC)cc(C(C)C)nc23)CCOc2cc(F)c(F)cc21
InChIInChI=1S/C22H23F2N3O3/c1-12(2)19-8-13(11-29-3)27-6-4-14(21(27)25-19)22(28)26-18-5-7-30-20-10-17(24)16(23)9-15(18)20/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,26,28)/i18D
InChIKeyVEPPOZWATLJLDT-VAAKKRCDSA-N
XLogP4.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 135185577) is N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is [2H]C1(NC(=O)c2ccn3c(COC)cc(C(C)C)nc23)CCOc2cc(F)c(F)cc21.
What is the InChIKey of N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is VEPPOZWATLJLDT-VAAKKRCDSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-12(2)19-8-13(11-29-3)27-6-4-14(21(27)25-19)22(28)26-18-5-7-30-20-10-17(24)16(23)9-15(18)20/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,26,28)/i18D.
What are the key properties of N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-deuterio-6,7-difluoro-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)-2-propan-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 135185577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).