5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide

C23H28FN7O2 — CID 155518120

IUPAC5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ncc(Nc2ncc(F)c(N3C[C@H]4CC[C@H](C3)N4C(=O)C3CC3)n2)cc1C
InChIInChI=1S/C23H28FN7O2/c1-3-25-21(32)19-13(2)8-15(9-26-19)28-23-27-10-18(24)20(29-23)30-11-16-6-7-17(12-30)31(16)22(33)14-4-5-14/h8-10,14,16-17H,3-7,11-12H2,1-2H3,(H,25,32)(H,27,28,29)/t16-,17-/m1/s1
InChIKeyZXBVETHTIGOXIX-IAGOWNOFSA-N
MW453.52 g/mol
LogP2.40
Rot. Bonds6

About 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide

5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide (PubChem CID 155518120) has the molecular formula C23H28FN7O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide
PubChem CID155518120
Molecular FormulaC23H28FN7O2
Molecular Weight453.52 g/mol
Exact Mass453.23
IUPAC Name5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1ncc(Nc2ncc(F)c(N3C[C@H]4CC[C@H](C3)N4C(=O)C3CC3)n2)cc1C
InChIInChI=1S/C23H28FN7O2/c1-3-25-21(32)19-13(2)8-15(9-26-19)28-23-27-10-18(24)20(29-23)30-11-16-6-7-17(12-30)31(16)22(33)14-4-5-14/h8-10,14,16-17H,3-7,11-12H2,1-2H3,(H,25,32)(H,27,28,29)/t16-,17-/m1/s1
InChIKeyZXBVETHTIGOXIX-IAGOWNOFSA-N
XLogP2.40
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide (CID 155518120) is 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide is CCNC(=O)c1ncc(Nc2ncc(F)c(N3C[C@H]4CC[C@H](C3)N4C(=O)C3CC3)n2)cc1C.
What is the InChIKey of 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide?
The InChIKey is ZXBVETHTIGOXIX-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H28FN7O2/c1-3-25-21(32)19-13(2)8-15(9-26-19)28-23-27-10-18(24)20(29-23)30-11-16-6-7-17(12-30)31(16)22(33)14-4-5-14/h8-10,14,16-17H,3-7,11-12H2,1-2H3,(H,25,32)(H,27,28,29)/t16-,17-/m1/s1.
What are the key properties of 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide?
5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1R,5R)-8-(cyclopropanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-fluoropyrimidin-2-yl]amino]-N-ethyl-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 155518120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).