azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

C26H31N5O2 — CID 161049684

IUPACazane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1O.N
InChIInChI=1S/C26H28N4O2.H3N/c1-19-5-6-21(15-25(19)31)24-17-28-30-18-22(16-27-26(24)30)20-7-9-23(10-8-20)32-14-13-29-11-3-2-4-12-29;/h5-10,15-18,31H,2-4,11-14H2,1H3;1H3
InChIKeyWGNVJHYAMBSSAF-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.10
Rot. Bonds6

About azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol

azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 161049684) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Nameazane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID161049684
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Nameazane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1O.N
InChIInChI=1S/C26H28N4O2.H3N/c1-19-5-6-21(15-25(19)31)24-17-28-30-18-22(16-27-26(24)30)20-7-9-23(10-8-20)32-14-13-29-11-3-2-4-12-29;/h5-10,15-18,31H,2-4,11-14H2,1H3;1H3
InChIKeyWGNVJHYAMBSSAF-UHFFFAOYSA-N
XLogP5.10
TPSA97.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 161049684) is azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is Cc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1O.N.
What is the InChIKey of azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is WGNVJHYAMBSSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.H3N/c1-19-5-6-21(15-25(19)31)24-17-28-30-18-22(16-27-26(24)30)20-7-9-23(10-8-20)32-14-13-29-11-3-2-4-12-29;/h5-10,15-18,31H,2-4,11-14H2,1H3;1H3.
What are the key properties of azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 445.57 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 161049684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).