N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C28H31N5O2 — CID 162370375

IUPACN-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccc(O)cc3)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C28H31N5O2/c1-20-25(18-30-27-17-26(31-33(20)27)23-5-3-2-4-6-23)28(35)29-14-11-21-12-15-32(16-13-21)19-22-7-9-24(34)10-8-22/h2-10,17-18,21,34H,11-16,19H2,1H3,(H,29,35)
InChIKeyFBLZFGPWGIWMNH-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.44
Rot. Bonds7

About N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 162370375) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID162370375
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCN(Cc3ccc(O)cc3)CC2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C28H31N5O2/c1-20-25(18-30-27-17-26(31-33(20)27)23-5-3-2-4-6-23)28(35)29-14-11-21-12-15-32(16-13-21)19-22-7-9-24(34)10-8-22/h2-10,17-18,21,34H,11-16,19H2,1H3,(H,29,35)
InChIKeyFBLZFGPWGIWMNH-UHFFFAOYSA-N
XLogP4.44
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 162370375) is N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCC2CCN(Cc3ccc(O)cc3)CC2)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FBLZFGPWGIWMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-20-25(18-30-27-17-26(31-33(20)27)23-5-3-2-4-6-23)28(35)29-14-11-21-12-15-32(16-13-21)19-22-7-9-24(34)10-8-22/h2-10,17-18,21,34H,11-16,19H2,1H3,(H,29,35).
What are the key properties of N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 162370375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).