6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C23H25ClN6 — CID 59346490

IUPAC6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CC(C)(C)c2ccc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)cc21
InChIInChI=1S/C23H25ClN6/c1-23(2)13-29(3)20-11-15(6-7-17(20)23)28-21-16-12-30(10-8-19(16)26-14-27-21)22-18(24)5-4-9-25-22/h4-7,9,11,14H,8,10,12-13H2,1-3H3,(H,26,27,28)
InChIKeyWCUXNKOOMQWXAI-UHFFFAOYSA-N
MW420.95 g/mol
LogP4.56
Rot. Bonds3

About 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346490) has the molecular formula C23H25ClN6 and a molecular weight of 420.95 g/mol. Its IUPAC name is 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346490
Molecular FormulaC23H25ClN6
Molecular Weight420.95 g/mol
Exact Mass420.18
IUPAC Name6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CC(C)(C)c2ccc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)cc21
InChIInChI=1S/C23H25ClN6/c1-23(2)13-29(3)20-11-15(6-7-17(20)23)28-21-16-12-30(10-8-19(16)26-14-27-21)22-18(24)5-4-9-25-22/h4-7,9,11,14H,8,10,12-13H2,1-3H3,(H,26,27,28)
InChIKeyWCUXNKOOMQWXAI-UHFFFAOYSA-N
XLogP4.56
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346490) is 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CN1CC(C)(C)c2ccc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)cc21.
What is the InChIKey of 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is WCUXNKOOMQWXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6/c1-23(2)13-29(3)20-11-15(6-7-17(20)23)28-21-16-12-30(10-8-19(16)26-14-27-21)22-18(24)5-4-9-25-22/h4-7,9,11,14H,8,10,12-13H2,1-3H3,(H,26,27,28).
What are the key properties of 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 420.95 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-pyridinyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).