4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine

C22H25ClN6O2 — CID 166101878

IUPAC4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2ccccc2OCCN2CC3(COC3)C2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C22H25ClN6O2/c1-28-10-16(20(27-28)17-9-19(23)26-21(24)25-17)8-15-4-2-3-5-18(15)31-7-6-29-11-22(12-29)13-30-14-22/h2-5,9-10H,6-8,11-14H2,1H3,(H2,24,25,26)
InChIKeyUCAQZKORNBZGSL-UHFFFAOYSA-N
MW440.94 g/mol
LogP2.41
Rot. Bonds7

About 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 166101878) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
PubChem CID166101878
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2ccccc2OCCN2CC3(COC3)C2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C22H25ClN6O2/c1-28-10-16(20(27-28)17-9-19(23)26-21(24)25-17)8-15-4-2-3-5-18(15)31-7-6-29-11-22(12-29)13-30-14-22/h2-5,9-10H,6-8,11-14H2,1H3,(H2,24,25,26)
InChIKeyUCAQZKORNBZGSL-UHFFFAOYSA-N
XLogP2.41
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

2-Amino-4-{2,4-Dichloro-6-[2-(1h-Pyrazol-1-Yl)ethoxy]phenyl}-N-(2,2-Difluoropropyl)-5,7-Dihydro-6h-Pyrrolo[3,4-D]pyrimidine-6-Carboxamide
CID 25003030
CID 166101565
CID 166101565
methyl (3R)-4-[2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine-3-carboxylate
CID 166101429
CM-Tpmf
CID 3780244
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-4-[2,4-dichloro-6-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 46175039
2-Amino-4-{2,4-dichloro-6-[2-(4-fluoropyrazol-1-yl)ethoxy]phenyl}-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(2,2-Difluoropropyl)amide
CID 46175091
2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 53236120
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 53236346
2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 53236347
4-(2-(2-(1H-pyrazol-1-yl)ethoxy)-4,6-dichlorophenyl)-2-amino-N-cyclopropyl-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxamide
CID 53236348
2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid(3,3-Difluorocyclobutyl)amide
CID 53236349
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 53236350

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine (CID 166101878) is 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine is Cn1cc(Cc2ccccc2OCCN2CC3(COC3)C2)c(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is UCAQZKORNBZGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-28-10-16(20(27-28)17-9-19(23)26-21(24)25-17)8-15-4-2-3-5-18(15)31-7-6-29-11-22(12-29)13-30-14-22/h2-5,9-10H,6-8,11-14H2,1H3,(H2,24,25,26).
What are the key properties of 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 440.94 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-methyl-4-[[2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166101878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).