N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide

C27H26N6O2 — CID 90448937

IUPACN-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide
SMILESCc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C(=O)NC3CC3)c3ccccc3)c2c1
InChIInChI=1S/C27H26N6O2/c1-16-24(17(2)35-31-16)19-11-23-25(28-12-19)22(20-13-29-32(3)14-20)15-33(23)26(18-7-5-4-6-8-18)27(34)30-21-9-10-21/h4-8,11-15,21,26H,9-10H2,1-3H3,(H,30,34)
InChIKeyDVZPPDAHBWMEBR-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.58
Rot. Bonds6

About N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide

N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide (PubChem CID 90448937) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide
PubChem CID90448937
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide
SMILESCc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C(=O)NC3CC3)c3ccccc3)c2c1
InChIInChI=1S/C27H26N6O2/c1-16-24(17(2)35-31-16)19-11-23-25(28-12-19)22(20-13-29-32(3)14-20)15-33(23)26(18-7-5-4-6-8-18)27(34)30-21-9-10-21/h4-8,11-15,21,26H,9-10H2,1-3H3,(H,30,34)
InChIKeyDVZPPDAHBWMEBR-UHFFFAOYSA-N
XLogP4.58
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide (CID 90448937) is N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide is Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C(=O)NC3CC3)c3ccccc3)c2c1.
What is the InChIKey of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide?
The InChIKey is DVZPPDAHBWMEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-16-24(17(2)35-31-16)19-11-23-25(28-12-19)22(20-13-29-32(3)14-20)15-33(23)26(18-7-5-4-6-8-18)27(34)30-21-9-10-21/h4-8,11-15,21,26H,9-10H2,1-3H3,(H,30,34).
What are the key properties of N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide?
N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide has a molecular weight of 466.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 90448937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).