N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide

C26H34N6O3 — CID 90176086

IUPACN-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2cnn3c(NCC4CCOCC4)nc(OC4CCCC4)nc23)cc1
InChIInChI=1S/C26H34N6O3/c1-17(2)24(33)29-20-9-7-19(8-10-20)22-16-28-32-23(22)30-26(35-21-5-3-4-6-21)31-25(32)27-15-18-11-13-34-14-12-18/h7-10,16-18,21H,3-6,11-15H2,1-2H3,(H,29,33)(H,27,30,31)
InChIKeyQZUXEFURRXBMQG-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.55
Rot. Bonds8

About N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide

N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide (PubChem CID 90176086) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide
PubChem CID90176086
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC NameN-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(-c2cnn3c(NCC4CCOCC4)nc(OC4CCCC4)nc23)cc1
InChIInChI=1S/C26H34N6O3/c1-17(2)24(33)29-20-9-7-19(8-10-20)22-16-28-32-23(22)30-26(35-21-5-3-4-6-21)31-25(32)27-15-18-11-13-34-14-12-18/h7-10,16-18,21H,3-6,11-15H2,1-2H3,(H,29,33)(H,27,30,31)
InChIKeyQZUXEFURRXBMQG-UHFFFAOYSA-N
XLogP4.55
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide (CID 90176086) is N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-c2cnn3c(NCC4CCOCC4)nc(OC4CCCC4)nc23)cc1.
What is the InChIKey of N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide?
The InChIKey is QZUXEFURRXBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-17(2)24(33)29-20-9-7-19(8-10-20)22-16-28-32-23(22)30-26(35-21-5-3-4-6-21)31-25(32)27-15-18-11-13-34-14-12-18/h7-10,16-18,21H,3-6,11-15H2,1-2H3,(H,29,33)(H,27,30,31).
What are the key properties of N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide?
N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide has a molecular weight of 478.60 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-cyclopentyloxy-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 90176086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).