4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C22H32FN5O — CID 174149408

IUPAC4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESF[C@H]1CN2CCCC2(COc2nc3c(c(N4CC5CCC(C5)C4)n2)CCNC3)C1
InChIInChI=1S/C22H32FN5O/c23-17-9-22(5-1-7-28(22)13-17)14-29-21-25-19-10-24-6-4-18(19)20(26-21)27-11-15-2-3-16(8-15)12-27/h15-17,24H,1-14H2/t15?,16?,17-,22?/m1/s1
InChIKeyLQNWOGJHWYIPLN-OIZUCRILSA-N
MW401.53 g/mol
LogP2.31
Rot. Bonds4

About 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 174149408) has the molecular formula C22H32FN5O and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID174149408
Molecular FormulaC22H32FN5O
Molecular Weight401.53 g/mol
Exact Mass401.26
IUPAC Name4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESF[C@H]1CN2CCCC2(COc2nc3c(c(N4CC5CCC(C5)C4)n2)CCNC3)C1
InChIInChI=1S/C22H32FN5O/c23-17-9-22(5-1-7-28(22)13-17)14-29-21-25-19-10-24-6-4-18(19)20(26-21)27-11-15-2-3-16(8-15)12-27/h15-17,24H,1-14H2/t15?,16?,17-,22?/m1/s1
InChIKeyLQNWOGJHWYIPLN-OIZUCRILSA-N
XLogP2.31
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 174149408) is 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is F[C@H]1CN2CCCC2(COc2nc3c(c(N4CC5CCC(C5)C4)n2)CCNC3)C1.
What is the InChIKey of 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is LQNWOGJHWYIPLN-OIZUCRILSA-N. The full InChI is InChI=1S/C22H32FN5O/c23-17-9-22(5-1-7-28(22)13-17)14-29-21-25-19-10-24-6-4-18(19)20(26-21)27-11-15-2-3-16(8-15)12-27/h15-17,24H,1-14H2/t15?,16?,17-,22?/m1/s1.
What are the key properties of 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 401.53 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.2.1]octan-3-yl)-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 174149408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).