(3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone

C30H33FN6O2 — CID 142494576

IUPAC(3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone
SMILESCOc1ccc(F)c(C(=O)N2C3CCC2CN(Cc2c(-c4ccc(C(C)C)cc4)nc4ncccn24)CC3)n1
InChIInChI=1S/C30H33FN6O2/c1-19(2)20-5-7-21(8-6-20)27-25(36-15-4-14-32-30(36)34-27)18-35-16-13-22-9-10-23(17-35)37(22)29(38)28-24(31)11-12-26(33-28)39-3/h4-8,11-12,14-15,19,22-23H,9-10,13,16-18H2,1-3H3
InChIKeyJUQCZQWJYSDLSU-UHFFFAOYSA-N
MW528.63 g/mol
LogP4.94
Rot. Bonds6

About (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone

(3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone (PubChem CID 142494576) has the molecular formula C30H33FN6O2 and a molecular weight of 528.63 g/mol. Its IUPAC name is (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone
PubChem CID142494576
Molecular FormulaC30H33FN6O2
Molecular Weight528.63 g/mol
Exact Mass528.26
IUPAC Name(3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone
SMILESCOc1ccc(F)c(C(=O)N2C3CCC2CN(Cc2c(-c4ccc(C(C)C)cc4)nc4ncccn24)CC3)n1
InChIInChI=1S/C30H33FN6O2/c1-19(2)20-5-7-21(8-6-20)27-25(36-15-4-14-32-30(36)34-27)18-35-16-13-22-9-10-23(17-35)37(22)29(38)28-24(31)11-12-26(33-28)39-3/h4-8,11-12,14-15,19,22-23H,9-10,13,16-18H2,1-3H3
InChIKeyJUQCZQWJYSDLSU-UHFFFAOYSA-N
XLogP4.94
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone with MolForge

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Related Compounds

9-(3-chloro-6-methoxypyridine-2-carbonyl)-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863944
[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(6-methoxy-2-pyridinyl)methanone
CID 146462827
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-9-(6-methoxypyridine-2-carbonyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863945
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
(3-chloro-6-methoxy-2-pyridinyl)-[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone
CID 134203589
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanone
CID 175895866
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-[(2,6-difluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270938
3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142494523
3-[[5-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine
CID 166948577
7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde
CID 175882035
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(2,6-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270962
1-[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 158299074

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone?
The IUPAC name of (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone (CID 142494576) is (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone.
What is the SMILES notation for (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone?
The canonical SMILES for (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone is COc1ccc(F)c(C(=O)N2C3CCC2CN(Cc2c(-c4ccc(C(C)C)cc4)nc4ncccn24)CC3)n1.
What is the InChIKey of (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone?
The InChIKey is JUQCZQWJYSDLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2/c1-19(2)20-5-7-21(8-6-20)27-25(36-15-4-14-32-30(36)34-27)18-35-16-13-22-9-10-23(17-35)37(22)29(38)28-24(31)11-12-26(33-28)39-3/h4-8,11-12,14-15,19,22-23H,9-10,13,16-18H2,1-3H3.
What are the key properties of (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone?
(3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone has a molecular weight of 528.63 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-6-methoxy-2-pyridinyl)-[3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone is sourced from PubChem (CID 142494576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).