N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide

C24H23N5O2 — CID 58900045

IUPACN-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide
SMILESCOCc1cccc(-c2ncnc3c2cnn3-c2cc(C(=O)NC3CC3)ccc2C)c1
InChIInChI=1S/C24H23N5O2/c1-15-6-7-18(24(30)28-19-8-9-19)11-21(15)29-23-20(12-27-29)22(25-14-26-23)17-5-3-4-16(10-17)13-31-2/h3-7,10-12,14,19H,8-9,13H2,1-2H3,(H,28,30)
InChIKeyAOTLQPQQWZOOQH-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.83
Rot. Bonds6

About N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide

N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide (PubChem CID 58900045) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide
PubChem CID58900045
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide
SMILESCOCc1cccc(-c2ncnc3c2cnn3-c2cc(C(=O)NC3CC3)ccc2C)c1
InChIInChI=1S/C24H23N5O2/c1-15-6-7-18(24(30)28-19-8-9-19)11-21(15)29-23-20(12-27-29)22(25-14-26-23)17-5-3-4-16(10-17)13-31-2/h3-7,10-12,14,19H,8-9,13H2,1-2H3,(H,28,30)
InChIKeyAOTLQPQQWZOOQH-UHFFFAOYSA-N
XLogP3.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methylbenzamide
CID 11502193
N-cyclopropyl-4-methyl-3-(6-pyrimidin-5-ylpurin-9-yl)benzamide
CID 11610403
3-[5-amino-4-(3-methoxy-4-methylbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142992738
3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
3-[5-amino-4-[3-[2-(3-aminopyrrolidin-1-yl)-2-oxoethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089036
N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57406684
bis(3-(5-amino-4-benzoylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide);3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzoic acid;cyclopropanamine
CID 157110865
3-[5-amino-4-[3-[[2-(3-chlorophenyl)ethylamino]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089046
N-cyclopropyl-3-[3-[(3-methoxyphenyl)methylamino]-2-oxopyrazin-1-yl]-4-methylbenzamide
CID 66689876
ethyl 2-[3-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]acetate
CID 134960958
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide
CID 58269141

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide (CID 58900045) is N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide is COCc1cccc(-c2ncnc3c2cnn3-c2cc(C(=O)NC3CC3)ccc2C)c1.
What is the InChIKey of N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide?
The InChIKey is AOTLQPQQWZOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-6-7-18(24(30)28-19-8-9-19)11-21(15)29-23-20(12-27-29)22(25-14-26-23)17-5-3-4-16(10-17)13-31-2/h3-7,10-12,14,19H,8-9,13H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide?
N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[3-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-4-methylbenzamide is sourced from PubChem (CID 58900045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).