5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine

C25H24N8O — CID 10253331

IUPAC5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(NCc3c[nH]c4ccccc34)c12
InChIInChI=1S/C25H24N8O/c26-24-23-21(28-14-17-13-27-19-4-2-1-3-18(17)19)11-20(32-25(23)31-15-30-24)16-5-6-22(29-12-16)33-7-9-34-10-8-33/h1-6,11-13,15,27H,7-10,14H2,(H3,26,28,30,31,32)
InChIKeyIQFCTZDMWNSJPP-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.60
Rot. Bonds5

About 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine

5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine (PubChem CID 10253331) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
PubChem CID10253331
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(NCc3c[nH]c4ccccc34)c12
InChIInChI=1S/C25H24N8O/c26-24-23-21(28-14-17-13-27-19-4-2-1-3-18(17)19)11-20(32-25(23)31-15-30-24)16-5-6-22(29-12-16)33-7-9-34-10-8-33/h1-6,11-13,15,27H,7-10,14H2,(H3,26,28,30,31,32)
InChIKeyIQFCTZDMWNSJPP-UHFFFAOYSA-N
XLogP3.60
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

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BMS-181101 free base
CID 177836
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
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CID 25196900
4-(6-(1H-Indol-5-yl)-1-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
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Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
The IUPAC name of 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine (CID 10253331) is 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine.
What is the SMILES notation for 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
The canonical SMILES for 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(NCc3c[nH]c4ccccc34)c12.
What is the InChIKey of 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
The InChIKey is IQFCTZDMWNSJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c26-24-23-21(28-14-17-13-27-19-4-2-1-3-18(17)19)11-20(32-25(23)31-15-30-24)16-5-6-22(29-12-16)33-7-9-34-10-8-33/h1-6,11-13,15,27H,7-10,14H2,(H3,26,28,30,31,32).
What are the key properties of 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine has a molecular weight of 452.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine is sourced from PubChem (CID 10253331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).