N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine

C32H43N5 — CID 146420669

IUPACN-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine
SMILESCCc1c(C)c2nc(-c3cccnc3N(C)CC)cc(NCc3ccc(C(C)CC)cc3)c2n1C(C)C
InChIInChI=1S/C32H43N5/c1-9-22(6)25-16-14-24(15-17-25)20-34-28-19-27(26-13-12-18-33-32(26)36(8)11-3)35-30-23(7)29(10-2)37(21(4)5)31(28)30/h12-19,21-22H,9-11,20H2,1-8H3,(H,34,35)
InChIKeyQXDIGFILJVJAMG-UHFFFAOYSA-N
MW497.73 g/mol
LogP8.13
Rot. Bonds10

About N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine

N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine (PubChem CID 146420669) has the molecular formula C32H43N5 and a molecular weight of 497.73 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine
PubChem CID146420669
Molecular FormulaC32H43N5
Molecular Weight497.73 g/mol
Exact Mass497.35
IUPAC NameN-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine
SMILESCCc1c(C)c2nc(-c3cccnc3N(C)CC)cc(NCc3ccc(C(C)CC)cc3)c2n1C(C)C
InChIInChI=1S/C32H43N5/c1-9-22(6)25-16-14-24(15-17-25)20-34-28-19-27(26-13-12-18-33-32(26)36(8)11-3)35-30-23(7)29(10-2)37(21(4)5)31(28)30/h12-19,21-22H,9-11,20H2,1-8H3,(H,34,35)
InChIKeyQXDIGFILJVJAMG-UHFFFAOYSA-N
XLogP8.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.73
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine?
The IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine (CID 146420669) is N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine is CCc1c(C)c2nc(-c3cccnc3N(C)CC)cc(NCc3ccc(C(C)CC)cc3)c2n1C(C)C.
What is the InChIKey of N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine?
The InChIKey is QXDIGFILJVJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5/c1-9-22(6)25-16-14-24(15-17-25)20-34-28-19-27(26-13-12-18-33-32(26)36(8)11-3)35-30-23(7)29(10-2)37(21(4)5)31(28)30/h12-19,21-22H,9-11,20H2,1-8H3,(H,34,35).
What are the key properties of N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine?
N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 497.73 g/mol, XLogP of 8.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 146420669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).