(4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C21H24ClFN6 — CID 146466978

IUPAC(4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(F)c1Cl
InChIInChI=1S/C21H24ClFN6/c1-13-16(14-4-8-25-18(23)17(14)22)19-26-9-12-29(19)20(27-13)28-10-6-21(7-11-28)5-2-3-15(21)24/h4,8-9,12,15H,2-3,5-7,10-11,24H2,1H3/t15-/m1/s1
InChIKeyGDVNSHYAOYFXEO-OAHLLOKOSA-N
MW414.92 g/mol
LogP3.99
Rot. Bonds2

About (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466978) has the molecular formula C21H24ClFN6 and a molecular weight of 414.92 g/mol. Its IUPAC name is (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466978
Molecular FormulaC21H24ClFN6
Molecular Weight414.92 g/mol
Exact Mass414.17
IUPAC Name(4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(F)c1Cl
InChIInChI=1S/C21H24ClFN6/c1-13-16(14-4-8-25-18(23)17(14)22)19-26-9-12-29(19)20(27-13)28-10-6-21(7-11-28)5-2-3-15(21)24/h4,8-9,12,15H,2-3,5-7,10-11,24H2,1H3/t15-/m1/s1
InChIKeyGDVNSHYAOYFXEO-OAHLLOKOSA-N
XLogP3.99
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466978) is (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1ccnc(F)c1Cl.
What is the InChIKey of (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is GDVNSHYAOYFXEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClFN6/c1-13-16(14-4-8-25-18(23)17(14)22)19-26-9-12-29(19)20(27-13)28-10-6-21(7-11-28)5-2-3-15(21)24/h4,8-9,12,15H,2-3,5-7,10-11,24H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 414.92 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(3-chloro-2-fluoro-4-pyridinyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).