4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C22H25N7 — CID 135336016

IUPAC4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)N(C)c1ccccc1
InChIInChI=1S/C22H25N7/c1-14(28(3)17-7-5-4-6-8-17)13-29-15(2)25-19-10-9-18(26-22(19)29)16-11-20(23)27-21(24)12-16/h4-12,14H,13H2,1-3H3,(H4,23,24,27)/t14-/m1/s1
InChIKeySRXKHJNVZZHTEH-CQSZACIVSA-N
MW387.49 g/mol
LogP3.49
Rot. Bonds5

About 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135336016) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135336016
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)N(C)c1ccccc1
InChIInChI=1S/C22H25N7/c1-14(28(3)17-7-5-4-6-8-17)13-29-15(2)25-19-10-9-18(26-22(19)29)16-11-20(23)27-21(24)12-16/h4-12,14H,13H2,1-3H3,(H4,23,24,27)/t14-/m1/s1
InChIKeySRXKHJNVZZHTEH-CQSZACIVSA-N
XLogP3.49
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135336016) is 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)N(C)c1ccccc1.
What is the InChIKey of 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is SRXKHJNVZZHTEH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N7/c1-14(28(3)17-7-5-4-6-8-17)13-29-15(2)25-19-10-9-18(26-22(19)29)16-11-20(23)27-21(24)12-16/h4-12,14H,13H2,1-3H3,(H4,23,24,27)/t14-/m1/s1.
What are the key properties of 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 387.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[(2R)-2-(N-methylanilino)propyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135336016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).