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

C22H23ClN6 — CID 59346542

IUPAC6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCC1(C)CNc2cc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)ccc21
InChIInChI=1S/C22H23ClN6/c1-22(2)12-25-19-10-14(5-6-16(19)22)28-20-15-11-29(9-7-18(15)26-13-27-20)21-17(23)4-3-8-24-21/h3-6,8,10,13,25H,7,9,11-12H2,1-2H3,(H,26,27,28)
InChIKeyFAHCLKAGOJKRSC-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.53
Rot. Bonds3

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

6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 59346542) has the molecular formula C22H23ClN6 and a molecular weight of 406.92 g/mol. Its IUPAC name is 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID59346542
Molecular FormulaC22H23ClN6
Molecular Weight406.92 g/mol
Exact Mass406.17
IUPAC Name6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCC1(C)CNc2cc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)ccc21
InChIInChI=1S/C22H23ClN6/c1-22(2)12-25-19-10-14(5-6-16(19)22)28-20-15-11-29(9-7-18(15)26-13-27-20)21-17(23)4-3-8-24-21/h3-6,8,10,13,25H,7,9,11-12H2,1-2H3,(H,26,27,28)
InChIKeyFAHCLKAGOJKRSC-UHFFFAOYSA-N
XLogP4.53
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-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-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 59346542) is 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-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-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CC1(C)CNc2cc(Nc3ncnc4c3CN(c3ncccc3Cl)CC4)ccc21.
What is the InChIKey of 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FAHCLKAGOJKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6/c1-22(2)12-25-19-10-14(5-6-16(19)22)28-20-15-11-29(9-7-18(15)26-13-27-20)21-17(23)4-3-8-24-21/h3-6,8,10,13,25H,7,9,11-12H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 406.92 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-pyridinyl)-N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59346542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).