7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

C26H26F2N8O — CID 146392292

IUPAC7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c2cncnc21
InChIInChI=1S/C26H26F2N8O/c1-13-15(3-6-22(31-13)35-10-19-20(11-35)26(19,27)28)8-36-9-18(17-7-29-12-30-24(17)36)25(37)32-21-5-4-16-14(2)33-34-23(16)21/h3,6-7,9,12,19-21H,4-5,8,10-11H2,1-2H3,(H,32,37)(H,33,34)/t19?,20?,21-/m1/s1
InChIKeyDLHRFUUUKGCXTL-XVAXZDLZSA-N
MW504.55 g/mol
LogP3.33
Rot. Bonds5

About 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 146392292) has the molecular formula C26H26F2N8O and a molecular weight of 504.55 g/mol. Its IUPAC name is 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID146392292
Molecular FormulaC26H26F2N8O
Molecular Weight504.55 g/mol
Exact Mass504.22
IUPAC Name7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c2cncnc21
InChIInChI=1S/C26H26F2N8O/c1-13-15(3-6-22(31-13)35-10-19-20(11-35)26(19,27)28)8-36-9-18(17-7-29-12-30-24(17)36)25(37)32-21-5-4-16-14(2)33-34-23(16)21/h3,6-7,9,12,19-21H,4-5,8,10-11H2,1-2H3,(H,32,37)(H,33,34)/t19?,20?,21-/m1/s1
InChIKeyDLHRFUUUKGCXTL-XVAXZDLZSA-N
XLogP3.33
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 146392292) is 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)c2cncnc21.
What is the InChIKey of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DLHRFUUUKGCXTL-XVAXZDLZSA-N. The full InChI is InChI=1S/C26H26F2N8O/c1-13-15(3-6-22(31-13)35-10-19-20(11-35)26(19,27)28)8-36-9-18(17-7-29-12-30-24(17)36)25(37)32-21-5-4-16-14(2)33-34-23(16)21/h3,6-7,9,12,19-21H,4-5,8,10-11H2,1-2H3,(H,32,37)(H,33,34)/t19?,20?,21-/m1/s1.
What are the key properties of 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide?
7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 146392292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).