5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine

C23H24N8O — CID 139321423

IUPAC5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
SMILESNc1ncc(Nc2ccnc(NC3CCOC3)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C23H24N8O/c24-22-23(28-12-15-3-4-19-16(10-15)2-1-7-25-19)31-21(13-27-22)29-17-5-8-26-20(11-17)30-18-6-9-32-14-18/h1-5,7-8,10-11,13,18H,6,9,12,14H2,(H2,24,27)(H3,26,28,29,30,31)
InChIKeyNYXFZHAGCSGCHM-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.56
Rot. Bonds7

About 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine

5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine (PubChem CID 139321423) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine.

Molecular Properties

Compound Name5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
PubChem CID139321423
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
SMILESNc1ncc(Nc2ccnc(NC3CCOC3)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C23H24N8O/c24-22-23(28-12-15-3-4-19-16(10-15)2-1-7-25-19)31-21(13-27-22)29-17-5-8-26-20(11-17)30-18-6-9-32-14-18/h1-5,7-8,10-11,13,18H,6,9,12,14H2,(H2,24,27)(H3,26,28,29,30,31)
InChIKeyNYXFZHAGCSGCHM-UHFFFAOYSA-N
XLogP3.56
TPSA122.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine with MolForge

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Related Compounds

4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol
CID 123917924
5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321354
5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321434
2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol
CID 139321348
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 117083767
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
CID 103769027
4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
CID 115025286
N-(quinolin-6-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694189
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-(quinolin-6-ylmethyl)thian-4-amine
CID 115615624

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The IUPAC name of 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine (CID 139321423) is 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine.
What is the SMILES notation for 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The canonical SMILES for 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine is Nc1ncc(Nc2ccnc(NC3CCOC3)c2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The InChIKey is NYXFZHAGCSGCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c24-22-23(28-12-15-3-4-19-16(10-15)2-1-7-25-19)31-21(13-27-22)29-17-5-8-26-20(11-17)30-18-6-9-32-14-18/h1-5,7-8,10-11,13,18H,6,9,12,14H2,(H2,24,27)(H3,26,28,29,30,31).
What are the key properties of 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine has a molecular weight of 428.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine is sourced from PubChem (CID 139321423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).