4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine

C24H25ClN6O — CID 171362833

IUPAC4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESCc1cn2c(n1)C[C@H](COc1cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn1)CC2
InChIInChI=1S/C24H25ClN6O/c1-15-13-31-7-5-17(8-22(31)30-15)14-32-23-9-16(4-6-27-23)11-28-18-2-3-19-20(10-18)21(25)12-29-24(19)26/h2-4,6,9-10,12-13,17,28H,5,7-8,11,14H2,1H3,(H2,26,29)/t17-/m1/s1
InChIKeyCSNSELBEUILYAV-QGZVFWFLSA-N
MW448.96 g/mol
LogP4.62
Rot. Bonds6

About 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine

4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine (PubChem CID 171362833) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine.

Molecular Properties

Compound Name4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
PubChem CID171362833
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine
SMILESCc1cn2c(n1)C[C@H](COc1cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn1)CC2
InChIInChI=1S/C24H25ClN6O/c1-15-13-31-7-5-17(8-22(31)30-15)14-32-23-9-16(4-6-27-23)11-28-18-2-3-19-20(10-18)21(25)12-29-24(19)26/h2-4,6,9-10,12-13,17,28H,5,7-8,11,14H2,1H3,(H2,26,29)/t17-/m1/s1
InChIKeyCSNSELBEUILYAV-QGZVFWFLSA-N
XLogP4.62
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The IUPAC name of 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine (CID 171362833) is 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine.
What is the SMILES notation for 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The canonical SMILES for 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine is Cc1cn2c(n1)C[C@H](COc1cc(CNc3ccc4c(N)ncc(Cl)c4c3)ccn1)CC2.
What is the InChIKey of 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
The InChIKey is CSNSELBEUILYAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-15-13-31-7-5-17(8-22(31)30-15)14-32-23-9-16(4-6-27-23)11-28-18-2-3-19-20(10-18)21(25)12-29-24(19)26/h2-4,6,9-10,12-13,17,28H,5,7-8,11,14H2,1H3,(H2,26,29)/t17-/m1/s1.
What are the key properties of 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine?
4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine has a molecular weight of 448.96 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-N-[[2-[[(7R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methoxy]-4-pyridinyl]methyl]isoquinoline-1,6-diamine is sourced from PubChem (CID 171362833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).