7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

C21H20FN5 — CID 67545173

IUPAC7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESFc1ccc2c(c1)c1c(n2Cc2cn3cnccc3n2)C2CCN(CC2)C1
InChIInChI=1S/C21H20FN5/c22-15-1-2-19-17(9-15)18-12-25-7-4-14(5-8-25)21(18)27(19)11-16-10-26-13-23-6-3-20(26)24-16/h1-3,6,9-10,13-14H,4-5,7-8,11-12H2
InChIKeyLHBJIQBGMNSEGY-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.56
Rot. Bonds2

About 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene

7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (PubChem CID 67545173) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
PubChem CID67545173
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
SMILESFc1ccc2c(c1)c1c(n2Cc2cn3cnccc3n2)C2CCN(CC2)C1
InChIInChI=1S/C21H20FN5/c22-15-1-2-19-17(9-15)18-12-25-7-4-14(5-8-25)21(18)27(19)11-16-10-26-13-23-6-3-20(26)24-16/h1-3,6,9-10,13-14H,4-5,7-8,11-12H2
InChIKeyLHBJIQBGMNSEGY-UHFFFAOYSA-N
XLogP3.56
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene (CID 67545173) is 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene.
What is the SMILES notation for 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is Fc1ccc2c(c1)c1c(n2Cc2cn3cnccc3n2)C2CCN(CC2)C1.
What is the InChIKey of 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
The InChIKey is LHBJIQBGMNSEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c22-15-1-2-19-17(9-15)18-12-25-7-4-14(5-8-25)21(18)27(19)11-16-10-26-13-23-6-3-20(26)24-16/h1-3,6,9-10,13-14H,4-5,7-8,11-12H2.
What are the key properties of 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene?
7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene has a molecular weight of 361.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(imidazo[1,2-c]pyrimidin-2-ylmethyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 67545173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).