3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

C32H33BrN10 — CID 159614326

IUPAC3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2cc(-c3ccc(N4CCCCC4)nc3)cnc12.c1cc2ncc(-c3ccc(N4CCCCC4)nc3)cn2n1
InChIInChI=1S/C16H16BrN5.C16H17N5/c17-14-10-20-22-11-13(9-19-16(14)22)12-4-5-15(18-8-12)21-6-2-1-3-7-21;1-2-8-20(9-3-1)15-5-4-13(10-17-15)14-11-18-16-6-7-19-21(16)12-14/h4-5,8-11H,1-3,6-7H2;4-7,10-12H,1-3,8-9H2
InChIKeyMNCBDTSQIXXDHC-UHFFFAOYSA-N
MW637.59 g/mol
LogP6.33
Rot. Bonds4

About 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine

3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 159614326) has the molecular formula C32H33BrN10 and a molecular weight of 637.59 g/mol. Its IUPAC name is 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID159614326
Molecular FormulaC32H33BrN10
Molecular Weight637.59 g/mol
Exact Mass636.21
IUPAC Name3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2cc(-c3ccc(N4CCCCC4)nc3)cnc12.c1cc2ncc(-c3ccc(N4CCCCC4)nc3)cn2n1
InChIInChI=1S/C16H16BrN5.C16H17N5/c17-14-10-20-22-11-13(9-19-16(14)22)12-4-5-15(18-8-12)21-6-2-1-3-7-21;1-2-8-20(9-3-1)15-5-4-13(10-17-15)14-11-18-16-6-7-19-21(16)12-14/h4-5,8-11H,1-3,6-7H2;4-7,10-12H,1-3,8-9H2
InChIKeyMNCBDTSQIXXDHC-UHFFFAOYSA-N
XLogP6.33
TPSA92.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.59
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894215
3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 118665090
6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 118894240
3-bromo-6-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[6-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
CID 161179367
tert-butyl 4-[5-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-2-pyridinyl]-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxy-4-(5-pyrazolo[1,5-a]pyrimidin-6-yl-2-pyridinyl)piperidine-1-carboxylate
CID 157164582
tert-butyl 3-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]piperidine-1-carboxylate;tert-butyl 3-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)piperidine-1-carboxylate
CID 158159281
tert-butyl 4-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]piperidine-1-carboxylate;tert-butyl 4-(4-pyrazolo[1,5-a]pyrimidin-6-ylphenyl)piperidine-1-carboxylate
CID 159373138
4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline
CID 71743370
3-bromo-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine;3-phenyl-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158044709
2-deuterio-4-[6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;2-deuterio-4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 157064584
3-bromo-6-[4-(1-methylcyclopropyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 130214283
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 159614326) is 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is Brc1cnn2cc(-c3ccc(N4CCCCC4)nc3)cnc12.c1cc2ncc(-c3ccc(N4CCCCC4)nc3)cn2n1.
What is the InChIKey of 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MNCBDTSQIXXDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5.C16H17N5/c17-14-10-20-22-11-13(9-19-16(14)22)12-4-5-15(18-8-12)21-6-2-1-3-7-21;1-2-8-20(9-3-1)15-5-4-13(10-17-15)14-11-18-16-6-7-19-21(16)12-14/h4-5,8-11H,1-3,6-7H2;4-7,10-12H,1-3,8-9H2.
What are the key properties of 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 637.59 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 159614326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).