4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C28H32N8O — CID 146191523

IUPAC4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1cnn2c(NCc3ccccc3-c3cc4ccccc4[nH]3)nc(NCC3CNCCO3)nc12
InChIInChI=1S/C28H32N8O/c1-18(2)23-17-32-36-26(23)34-27(30-16-21-15-29-11-12-37-21)35-28(36)31-14-20-8-3-5-9-22(20)25-13-19-7-4-6-10-24(19)33-25/h3-10,13,17-18,21,29,33H,11-12,14-16H2,1-2H3,(H2,30,31,34,35)
InChIKeyKOZQZQNXAYJPGS-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.41
Rot. Bonds8

About 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 146191523) has the molecular formula C28H32N8O and a molecular weight of 496.62 g/mol. Its IUPAC name is 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID146191523
Molecular FormulaC28H32N8O
Molecular Weight496.62 g/mol
Exact Mass496.27
IUPAC Name4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)c1cnn2c(NCc3ccccc3-c3cc4ccccc4[nH]3)nc(NCC3CNCCO3)nc12
InChIInChI=1S/C28H32N8O/c1-18(2)23-17-32-36-26(23)34-27(30-16-21-15-29-11-12-37-21)35-28(36)31-14-20-8-3-5-9-22(20)25-13-19-7-4-6-10-24(19)33-25/h3-10,13,17-18,21,29,33H,11-12,14-16H2,1-2H3,(H2,30,31,34,35)
InChIKeyKOZQZQNXAYJPGS-UHFFFAOYSA-N
XLogP4.41
TPSA104.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine with MolForge

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Related Compounds

3-fluoro-1-[1-[2-[[[2-[[(2S)-morpholin-2-yl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]isoquinolin-6-yl]but-3-en-2-one
CID 165018791
2-fluoro-N-[2-[3-methyl-2-[[[2-(morpholin-2-ylmethylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-3H-inden-4-yl]prop-2-enamide
CID 165107849
(E)-5-(dimethylamino)-1-[1-[2-[[[2-(2-morpholin-2-ylethylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]isoquinolin-6-yl]pent-3-en-2-one
CID 165106160
2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-pyridin-3-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78162091
(E)-4-(dimethylamino)-N-[2-[2-[[[2-[(4-methoxycyclohexyl)amino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-3-methylphenyl]-1H-indol-7-yl]but-2-enamide
CID 169186838
2-piperidin-4-yloxy-8-propan-2-yl-N-[(2-thiophen-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71731764
8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-yloxypyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161990
N-[3-[[[2-(oxan-4-ylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-prop-2-enoylphenyl]pyrrolidine-3-carboxamide
CID 156758617
2-methyl-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123303053
2-piperidin-3-yloxy-8-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 78161991
2-[2-[[[2-[(3R)-piperidin-3-yl]oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]acetic acid
CID 121248459
2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 122517837

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 146191523) is 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CC(C)c1cnn2c(NCc3ccccc3-c3cc4ccccc4[nH]3)nc(NCC3CNCCO3)nc12.
What is the InChIKey of 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is KOZQZQNXAYJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O/c1-18(2)23-17-32-36-26(23)34-27(30-16-21-15-29-11-12-37-21)35-28(36)31-14-20-8-3-5-9-22(20)25-13-19-7-4-6-10-24(19)33-25/h3-10,13,17-18,21,29,33H,11-12,14-16H2,1-2H3,(H2,30,31,34,35).
What are the key properties of 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 496.62 g/mol, XLogP of 4.41, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(1H-indol-2-yl)phenyl]methyl]-2-N-(morpholin-2-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 146191523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).