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

C26H26N8O — CID 10253975

IUPAC5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(NCCc3c[nH]c4ccccc34)c12
InChIInChI=1S/C26H26N8O/c27-25-24-22(28-8-7-17-14-29-20-4-2-1-3-19(17)20)13-21(33-26(24)32-16-31-25)18-5-6-23(30-15-18)34-9-11-35-12-10-34/h1-6,13-16,29H,7-12H2,(H3,27,28,31,32,33)
InChIKeyAHRBTNYWNRPQMC-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.64
Rot. Bonds6

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

5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine (PubChem CID 10253975) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
PubChem CID10253975
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(NCCc3c[nH]c4ccccc34)c12
InChIInChI=1S/C26H26N8O/c27-25-24-22(28-8-7-17-14-29-20-4-2-1-3-19(17)20)13-21(33-26(24)32-16-31-25)18-5-6-23(30-15-18)34-9-11-35-12-10-34/h1-6,13-16,29H,7-12H2,(H3,27,28,31,32,33)
InChIKeyAHRBTNYWNRPQMC-UHFFFAOYSA-N
XLogP3.64
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
The IUPAC name of 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine (CID 10253975) is 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine.
What is the SMILES notation for 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
The canonical SMILES for 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(NCCc3c[nH]c4ccccc34)c12.
What is the InChIKey of 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
The InChIKey is AHRBTNYWNRPQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c27-25-24-22(28-8-7-17-14-29-20-4-2-1-3-19(17)20)13-21(33-26(24)32-16-31-25)18-5-6-23(30-15-18)34-9-11-35-12-10-34/h1-6,13-16,29H,7-12H2,(H3,27,28,31,32,33).
What are the key properties of 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine?
5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine has a molecular weight of 466.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine is sourced from PubChem (CID 10253975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).