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1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide

C22H21N7O — CID 122685428

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide
SMILESCN1CCc2c(NCc3ccccc3)nc(-c3ncn4c(C(N)=O)cccc34)nc21
InChIInChI=1S/C22H21N7O/c1-28-11-10-15-20(24-12-14-6-3-2-4-7-14)26-21(27-22(15)28)18-16-8-5-9-17(19(23)30)29(16)13-25-18/h2-9,13H,10-12H2,1H3,(H2,23,30)(H,24,26,27)
InChIKeyQADPHMRVUVHAHL-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide

1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 122685428) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide
PubChem CID122685428
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide
SMILESCN1CCc2c(NCc3ccccc3)nc(-c3ncn4c(C(N)=O)cccc34)nc21
InChIInChI=1S/C22H21N7O/c1-28-11-10-15-20(24-12-14-6-3-2-4-7-14)26-21(27-22(15)28)18-16-8-5-9-17(19(23)30)29(16)13-25-18/h2-9,13H,10-12H2,1H3,(H2,23,30)(H,24,26,27)
InChIKeyQADPHMRVUVHAHL-UHFFFAOYSA-N
XLogP2.49
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide (CID 122685428) is 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide is CN1CCc2c(NCc3ccccc3)nc(-c3ncn4c(C(N)=O)cccc34)nc21.
What is the InChIKey of 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is QADPHMRVUVHAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-28-11-10-15-20(24-12-14-6-3-2-4-7-14)26-21(27-22(15)28)18-16-8-5-9-17(19(23)30)29(16)13-25-18/h2-9,13H,10-12H2,1H3,(H2,23,30)(H,24,26,27).
What are the key properties of 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide?
1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 122685428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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