6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine

C18H21ClN6 — CID 146140342

IUPAC6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCC1CC(c2cccnc2)N(c2nc(Cl)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C18H21ClN6/c1-11(2)25-17-14(9-21-25)16(22-18(19)23-17)24-10-12(3)7-15(24)13-5-4-6-20-8-13/h4-6,8-9,11-12,15H,7,10H2,1-3H3
InChIKeyFTLQOBQODNJSRU-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.04
Rot. Bonds3

About 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine

6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 146140342) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID146140342
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCC1CC(c2cccnc2)N(c2nc(Cl)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C18H21ClN6/c1-11(2)25-17-14(9-21-25)16(22-18(19)23-17)24-10-12(3)7-15(24)13-5-4-6-20-8-13/h4-6,8-9,11-12,15H,7,10H2,1-3H3
InChIKeyFTLQOBQODNJSRU-UHFFFAOYSA-N
XLogP4.04
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
CID 124861637
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
2-[(2R,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864244
2-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124864243
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole
CID 120763906
1-propan-2-yl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylindazole;hydrochloride
CID 120763905
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730877
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 99832102
2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride
CID 2784612
4-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-6-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 170615235
5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120903406

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine (CID 146140342) is 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine is CC1CC(c2cccnc2)N(c2nc(Cl)nc3c2cnn3C(C)C)C1.
What is the InChIKey of 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is FTLQOBQODNJSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-11(2)25-17-14(9-21-25)16(22-18(19)23-17)24-10-12(3)7-15(24)13-5-4-6-20-8-13/h4-6,8-9,11-12,15H,7,10H2,1-3H3.
What are the key properties of 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine?
6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 356.86 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 146140342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).