5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine

C28H32FN7 — CID 167554912

IUPAC5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1cnn2ccc(-c3nc(Cc4ccc(CN5CCN6CCCC6C5)cn4)ncc3F)cc12
InChIInChI=1S/C28H32FN7/c1-19(2)24-15-32-36-9-7-21(12-26(24)36)28-25(29)16-31-27(33-28)13-22-6-5-20(14-30-22)17-34-10-11-35-8-3-4-23(35)18-34/h5-7,9,12,14-16,19,23H,3-4,8,10-11,13,17-18H2,1-2H3
InChIKeyCWPXAWQNKWFDIL-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.32
Rot. Bonds6

About 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine

5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine (PubChem CID 167554912) has the molecular formula C28H32FN7 and a molecular weight of 485.61 g/mol. Its IUPAC name is 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine
PubChem CID167554912
Molecular FormulaC28H32FN7
Molecular Weight485.61 g/mol
Exact Mass485.27
IUPAC Name5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1cnn2ccc(-c3nc(Cc4ccc(CN5CCN6CCCC6C5)cn4)ncc3F)cc12
InChIInChI=1S/C28H32FN7/c1-19(2)24-15-32-36-9-7-21(12-26(24)36)28-25(29)16-31-27(33-28)13-22-6-5-20(14-30-22)17-34-10-11-35-8-3-4-23(35)18-34/h5-7,9,12,14-16,19,23H,3-4,8,10-11,13,17-18H2,1-2H3
InChIKeyCWPXAWQNKWFDIL-UHFFFAOYSA-N
XLogP4.32
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine (CID 167554912) is 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine is CC(C)c1cnn2ccc(-c3nc(Cc4ccc(CN5CCN6CCCC6C5)cn4)ncc3F)cc12.
What is the InChIKey of 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine?
The InChIKey is CWPXAWQNKWFDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7/c1-19(2)24-15-32-36-9-7-21(12-26(24)36)28-25(29)16-31-27(33-28)13-22-6-5-20(14-30-22)17-34-10-11-35-8-3-4-23(35)18-34/h5-7,9,12,14-16,19,23H,3-4,8,10-11,13,17-18H2,1-2H3.
What are the key properties of 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine?
5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine has a molecular weight of 485.61 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]methyl]-5-fluoropyrimidin-4-yl]-3-propan-2-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167554912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).