N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide

C19H24N4O2 — CID 159518848

IUPACN-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(C2=NCc3ccnc(OC(C)C)c32)cn1C(C)C
InChIInChI=1S/C19H24N4O2/c1-11(2)23-10-14(8-15(23)18(24)20-5)17-16-13(9-22-17)6-7-21-19(16)25-12(3)4/h6-8,10-12H,9H2,1-5H3,(H,20,24)
InChIKeyMBNXIPRPRNDZED-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.96
Rot. Bonds5

About N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide

N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide (PubChem CID 159518848) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide
PubChem CID159518848
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(C2=NCc3ccnc(OC(C)C)c32)cn1C(C)C
InChIInChI=1S/C19H24N4O2/c1-11(2)23-10-14(8-15(23)18(24)20-5)17-16-13(9-22-17)6-7-21-19(16)25-12(3)4/h6-8,10-12H,9H2,1-5H3,(H,20,24)
InChIKeyMBNXIPRPRNDZED-UHFFFAOYSA-N
XLogP2.96
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide (CID 159518848) is N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide is CNC(=O)c1cc(C2=NCc3ccnc(OC(C)C)c32)cn1C(C)C.
What is the InChIKey of N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide?
The InChIKey is MBNXIPRPRNDZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11(2)23-10-14(8-15(23)18(24)20-5)17-16-13(9-22-17)6-7-21-19(16)25-12(3)4/h6-8,10-12H,9H2,1-5H3,(H,20,24).
What are the key properties of N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide?
N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 159518848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).