5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H21N5 — CID 171081187

IUPAC5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2cc(C3=CCCC=C3)nc3c(C)cnn23)cn1
InChIInChI=1S/C20H21N5/c1-14-11-23-25-19(22-13-16-9-8-15(2)21-12-16)10-18(24-20(14)25)17-6-4-3-5-7-17/h4,6-12,22H,3,5,13H2,1-2H3
InChIKeyOUCZUWIGARWTDU-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.09
Rot. Bonds4

About 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 171081187) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID171081187
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2cc(C3=CCCC=C3)nc3c(C)cnn23)cn1
InChIInChI=1S/C20H21N5/c1-14-11-23-25-19(22-13-16-9-8-15(2)21-12-16)10-18(24-20(14)25)17-6-4-3-5-7-17/h4,6-12,22H,3,5,13H2,1-2H3
InChIKeyOUCZUWIGARWTDU-UHFFFAOYSA-N
XLogP4.09
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143441491
ethanol;3-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 171081168
CID 89057854
CID 89057854
N-[3-[[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 71213586
3-methyl-5-nonan-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090637
2-[[1-[3-[[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]anilino]ethenylamino]methyl]phenol
CID 142870305
6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 70878976
3-methyl-5-N-(3-piperidin-1-ylpropyl)-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 70806616
CID 89057887
CID 89057887
2-acetamido-N-[[4-[[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]benzamide
CID 70877169
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
N-cyclopropyl-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126491418

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 171081187) is 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(CNc2cc(C3=CCCC=C3)nc3c(C)cnn23)cn1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OUCZUWIGARWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-11-23-25-19(22-13-16-9-8-15(2)21-12-16)10-18(24-20(14)25)17-6-4-3-5-7-17/h4,6-12,22H,3,5,13H2,1-2H3.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 331.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 171081187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).