2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

C41H47FN10O5 — CID 167309256

IUPAC2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCC(CN4CCN(c5ccc6c(N7CCC(=O)NC7=O)cnn6c5)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C41H47FN10O5/c1-25(2)57-37-20-33-27(18-30(37)39(54)44-32-4-3-12-49(40(32)55)35-19-31(35)42)23-51(46-33)28-7-5-26(6-8-28)22-47-14-16-48(17-15-47)29-9-10-34-36(21-43-52(34)24-29)50-13-11-38(53)45-41(50)56/h3-4,9-10,12,18,20-21,23-26,28,31,35H,5-8,11,13-17,19,22H2,1-2H3,(H,44,54)(H,45,53,56)/t26?,28?,31-,35+/m1/s1
InChIKeyNNOBVBPRJVBBLI-YWRCUKQZSA-N
MW778.89 g/mol
LogP5.17
Rot. Bonds10

About 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 167309256) has the molecular formula C41H47FN10O5 and a molecular weight of 778.89 g/mol. Its IUPAC name is 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID167309256
Molecular FormulaC41H47FN10O5
Molecular Weight778.89 g/mol
Exact Mass778.37
IUPAC Name2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCC(CN4CCN(c5ccc6c(N7CCC(=O)NC7=O)cnn6c5)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O
InChIInChI=1S/C41H47FN10O5/c1-25(2)57-37-20-33-27(18-30(37)39(54)44-32-4-3-12-49(40(32)55)35-19-31(35)42)23-51(46-33)28-7-5-26(6-8-28)22-47-14-16-48(17-15-47)29-9-10-34-36(21-43-52(34)24-29)50-13-11-38(53)45-41(50)56/h3-4,9-10,12,18,20-21,23-26,28,31,35H,5-8,11,13-17,19,22H2,1-2H3,(H,44,54)(H,45,53,56)/t26?,28?,31-,35+/m1/s1
InChIKeyNNOBVBPRJVBBLI-YWRCUKQZSA-N
XLogP5.17
TPSA151.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.89
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (CID 167309256) is 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C3CCC(CN4CCN(c5ccc6c(N7CCC(=O)NC7=O)cnn6c5)CC4)CC3)cc2cc1C(=O)Nc1cccn([C@H]2C[C@H]2F)c1=O.
What is the InChIKey of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is NNOBVBPRJVBBLI-YWRCUKQZSA-N. The full InChI is InChI=1S/C41H47FN10O5/c1-25(2)57-37-20-33-27(18-30(37)39(54)44-32-4-3-12-49(40(32)55)35-19-31(35)42)23-51(46-33)28-7-5-26(6-8-28)22-47-14-16-48(17-15-47)29-9-10-34-36(21-43-52(34)24-29)50-13-11-38(53)45-41(50)56/h3-4,9-10,12,18,20-21,23-26,28,31,35H,5-8,11,13-17,19,22H2,1-2H3,(H,44,54)(H,45,53,56)/t26?,28?,31-,35+/m1/s1.
What are the key properties of 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?
2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 778.89 g/mol, XLogP of 5.17, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]piperazin-1-yl]methyl]cyclohexyl]-N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 167309256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).