7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C19H21FN6O3 — CID 166375238

IUPAC7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[C@H]3C[C@H]3F)ccnc12
InChIInChI=1S/C19H21FN6O3/c20-14-7-12(14)19(29)25-10-1-2-11(25)6-9(5-10)24-18(28)15-3-4-22-17-13(16(21)27)8-23-26(15)17/h3-4,8-12,14H,1-2,5-7H2,(H2,21,27)(H,24,28)/t9?,10-,11+,12-,14+/m0/s1
InChIKeyKKDCMDUQAQMFNX-NRGCBBHHSA-N
MW400.41 g/mol
LogP0.44
Rot. Bonds4

About 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 166375238) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID166375238
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC Name7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[C@H]3C[C@H]3F)ccnc12
InChIInChI=1S/C19H21FN6O3/c20-14-7-12(14)19(29)25-10-1-2-11(25)6-9(5-10)24-18(28)15-3-4-22-17-13(16(21)27)8-23-26(15)17/h3-4,8-12,14H,1-2,5-7H2,(H2,21,27)(H,24,28)/t9?,10-,11+,12-,14+/m0/s1
InChIKeyKKDCMDUQAQMFNX-NRGCBBHHSA-N
XLogP0.44
TPSA122.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 166375238) is 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1cnn2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[C@H]3C[C@H]3F)ccnc12.
What is the InChIKey of 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is KKDCMDUQAQMFNX-NRGCBBHHSA-N. The full InChI is InChI=1S/C19H21FN6O3/c20-14-7-12(14)19(29)25-10-1-2-11(25)6-9(5-10)24-18(28)15-3-4-22-17-13(16(21)27)8-23-26(15)17/h3-4,8-12,14H,1-2,5-7H2,(H2,21,27)(H,24,28)/t9?,10-,11+,12-,14+/m0/s1.
What are the key properties of 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 400.41 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S,5R)-8-[(1R,2R)-2-fluorocyclopropanecarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 166375238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).