[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone

C23H23FN6O2 — CID 138689604

IUPAC[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone
SMILESCOc1ccnc(C(=O)N2CCC(Cc3cn4c(N)nc5c(F)cccc5c4n3)CC2)c1
InChIInChI=1S/C23H23FN6O2/c1-32-16-5-8-26-19(12-16)22(31)29-9-6-14(7-10-29)11-15-13-30-21(27-15)17-3-2-4-18(24)20(17)28-23(30)25/h2-5,8,12-14H,6-7,9-11H2,1H3,(H2,25,28)
InChIKeyYGEJRAHRDDIJRG-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.10
Rot. Bonds4

About [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone

[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone (PubChem CID 138689604) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone
PubChem CID138689604
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone
SMILESCOc1ccnc(C(=O)N2CCC(Cc3cn4c(N)nc5c(F)cccc5c4n3)CC2)c1
InChIInChI=1S/C23H23FN6O2/c1-32-16-5-8-26-19(12-16)22(31)29-9-6-14(7-10-29)11-15-13-30-21(27-15)17-3-2-4-18(24)20(17)28-23(30)25/h2-5,8,12-14H,6-7,9-11H2,1H3,(H2,25,28)
InChIKeyYGEJRAHRDDIJRG-UHFFFAOYSA-N
XLogP3.10
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 138689236
N-[2-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
CID 91786506
1-[4-[4-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 138689287
(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 138689663
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
(4-methoxy-2-pyridinyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 75371941
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
4-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]-2-methoxypyrimidine
CID 136545794
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone (CID 138689604) is [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone is COc1ccnc(C(=O)N2CCC(Cc3cn4c(N)nc5c(F)cccc5c4n3)CC2)c1.
What is the InChIKey of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone?
The InChIKey is YGEJRAHRDDIJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-32-16-5-8-26-19(12-16)22(31)29-9-6-14(7-10-29)11-15-13-30-21(27-15)17-3-2-4-18(24)20(17)28-23(30)25/h2-5,8,12-14H,6-7,9-11H2,1H3,(H2,25,28).
What are the key properties of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone?
[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone has a molecular weight of 434.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-(4-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 138689604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).