4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C16H17ClN6O — CID 163352426

IUPAC4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESClc1cccnc1OCC1CCCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C16H17ClN6O/c17-13-4-1-5-18-16(13)24-9-11-3-2-6-23(8-11)15-12-7-21-22-14(12)19-10-20-15/h1,4-5,7,10-11H,2-3,6,8-9H2,(H,19,20,21,22)
InChIKeyFEYRWNWDKYIRQT-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.70
Rot. Bonds4

About 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 163352426) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID163352426
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESClc1cccnc1OCC1CCCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C16H17ClN6O/c17-13-4-1-5-18-16(13)24-9-11-3-2-6-23(8-11)15-12-7-21-22-14(12)19-10-20-15/h1,4-5,7,10-11H,2-3,6,8-9H2,(H,19,20,21,22)
InChIKeyFEYRWNWDKYIRQT-UHFFFAOYSA-N
XLogP2.70
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163352973
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 163352971
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155798985

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 163352426) is 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Clc1cccnc1OCC1CCCN(c2ncnc3[nH]ncc23)C1.
What is the InChIKey of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is FEYRWNWDKYIRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c17-13-4-1-5-18-16(13)24-9-11-3-2-6-23(8-11)15-12-7-21-22-14(12)19-10-20-15/h1,4-5,7,10-11H,2-3,6,8-9H2,(H,19,20,21,22).
What are the key properties of 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 344.81 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 163352426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).