N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide

C23H27N7O2S — CID 139437092

IUPACN,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
SMILESCc1cnc(-c2ccc(O[C@@H]3CCN(c4cnc(N5CC(C(=O)N(C)C)C5)nc4)C3)cn2)s1
InChIInChI=1S/C23H27N7O2S/c1-15-8-25-21(33-15)20-5-4-18(11-24-20)32-19-6-7-29(14-19)17-9-26-23(27-10-17)30-12-16(13-30)22(31)28(2)3/h4-5,8-11,16,19H,6-7,12-14H2,1-3H3/t19-/m1/s1
InChIKeyQPWCLYWHYNKLAH-LJQANCHMSA-N
MW465.58 g/mol
LogP2.49
Rot. Bonds6

About N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide

N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide (PubChem CID 139437092) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
PubChem CID139437092
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC NameN,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
SMILESCc1cnc(-c2ccc(O[C@@H]3CCN(c4cnc(N5CC(C(=O)N(C)C)C5)nc4)C3)cn2)s1
InChIInChI=1S/C23H27N7O2S/c1-15-8-25-21(33-15)20-5-4-18(11-24-20)32-19-6-7-29(14-19)17-9-26-23(27-10-17)30-12-16(13-30)22(31)28(2)3/h4-5,8-11,16,19H,6-7,12-14H2,1-3H3/t19-/m1/s1
InChIKeyQPWCLYWHYNKLAH-LJQANCHMSA-N
XLogP2.49
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide with MolForge

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Related Compounds

1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
CID 139437027
1-[5-[(3R)-3-[4-(4-fluorobenzoyl)phenoxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
CID 139437082
(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158443898
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
1-[5-[(3R)-3-[4-(4-fluoro-4-methylpentanoyl)phenoxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
CID 167004254
N,N-diethyl-1-[5-[(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]-2-hydroxy-2-methylpyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
CID 167004256
(4R)-4-[4-[1-(6-methylsulfanyl-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 161006415
(3R)-3-[4-[1-(5-bromopyrimidin-2-yl)azetidin-3-yl]oxyphenyl]-N,N-dimethylbutanamide
CID 158833109
N-[(1S)-1-[4-[(3R)-1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91824921
methyl 1-[5-[(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxylate
CID 139436994
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288
1-[5-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 135356590

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide (CID 139437092) is N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide is Cc1cnc(-c2ccc(O[C@@H]3CCN(c4cnc(N5CC(C(=O)N(C)C)C5)nc4)C3)cn2)s1.
What is the InChIKey of N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
The InChIKey is QPWCLYWHYNKLAH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-15-8-25-21(33-15)20-5-4-18(11-24-20)32-19-6-7-29(14-19)17-9-26-23(27-10-17)30-12-16(13-30)22(31)28(2)3/h4-5,8-11,16,19H,6-7,12-14H2,1-3H3/t19-/m1/s1.
What are the key properties of N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide?
N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 139437092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).